【药物名称】Indinavir sulfate, MK-639, L-735524, Crixivan
化学结构式(Chemical Structure):
参考文献No.20806
标题:HIV protease inhibitors useful for the treatment of AIDS
作者:Vacca, J.P.; Holloway, M.K.; Dorsey, B.D.; Hungate, R.W.; Guare, J.P. (Merck & Co., Inc.)
来源:EP 0541168; JP 1993279337; WO 9309096
合成路线图解说明:

3) The alkylation of 5(S)-(tert-butyldimethylsilyloxymethyl)tetrahydrofuran-2-one (XII) by means of benzyl bromide (XIII) and lithium diisopropylamide (LDA) gives the corresponding 3(R)-benzyl derivative (XIV), which is deprotected with aqueous HF, yielding the hydroxymethyl compound (XV). The esterification of (XV) with trifluoromethanesulfonic anhydride affords the corresponding triflate (XVI), which is condensed with the chiral piperazine (VII) by means of diisopropylethylamine in isopropanol, giving the substituted furanone (XVII). Ring opening of the furanone (XVII) with LiOH, DME and imidazole yields the substituted hydroxypentanamide (XVIII), which is protected with tert-butyldimethylsilyl chloride to afford the protected amide (XIX). The trans-amidation of (XIX) with 2-hydroxyindan-1-amine (II) by means of 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide (EDC) and 1-hydroxybenzotriazole (HOBt) in DMF gives the protected dihydroxy diamide (XX), which is deprotected with trimethylsilyl triflate, affording the dihydroxy diamide (VII), already obtained. This compound is then alkylated with 3-(chloromethyl)pyridine (IX) as before.

参考文献No.25042
标题:HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS
作者:Vacca, J.P.; Guare, J.P.; Dorsey, B.D.; Holloway, M.K.; Hungate, R.W. (Merck & Co., Inc.)
来源:EP 0617968; JP 1996508496; WO 9422480
合成路线图解说明:

3) The alkylation of 5(S)-(tert-butyldimethylsilyloxymethyl)tetrahydrofuran-2-one (XII) by means of benzyl bromide (XIII) and lithium diisopropylamide (LDA) gives the corresponding 3(R)-benzyl derivative (XIV), which is deprotected with aqueous HF, yielding the hydroxymethyl compound (XV). The esterification of (XV) with trifluoromethanesulfonic anhydride affords the corresponding triflate (XVI), which is condensed with the chiral piperazine (VII) by means of diisopropylethylamine in isopropanol, giving the substituted furanone (XVII). Ring opening of the furanone (XVII) with LiOH, DME and imidazole yields the substituted hydroxypentanamide (XVIII), which is protected with tert-butyldimethylsilyl chloride to afford the protected amide (XIX). The trans-amidation of (XIX) with 2-hydroxyindan-1-amine (II) by means of 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide (EDC) and 1-hydroxybenzotriazole (HOBt) in DMF gives the protected dihydroxy diamide (XX), which is deprotected with trimethylsilyl triflate, affording the dihydroxy diamide (VII), already obtained. This compound is then alkylated with 3-(chloromethyl)pyridine (IX) as before.

合成路线图解说明:

5) The double bond of the pentenylamide (X) (as obtained in Scheme 1) is oxidized with OsO4 and N-methylmorpholine N-oxide in tert-butanol/water to give the 4(R,S),5-dihydroxy-compound (XXVI), which is esterified selectively with methanesulfonyl chloride, yielding the terminal monomesylate (XXVII). The condensation of (XXVII) with the chiral piperazine (VII) by means of K2CO3 in hot isopropanol yields the condensation product (XXVIII) with the (R,S)-configuration at the 4-OH group. The optical resolution of this 4-OH group with (S)-(+)-camphosulfonic acid affords the protected hydroxy-amide (XXV), already obtained in Scheme 19918303a.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.25527
标题:HIV protease inhibitors useful for the treatment of AIDS
作者:Vacca, J.P.; Dorsey, B.D.; Guare, J.P.; Holloway, M.K.; Hungate, R.W.; Levin, R.B. (Merck & Co., Inc.)
来源:EP 0696277; JP 1996509980; US 5413999; WO 9426717
合成路线图解说明:

3) The alkylation of 5(S)-(tert-butyldimethylsilyloxymethyl)tetrahydrofuran-2-one (XII) by means of benzyl bromide (XIII) and lithium diisopropylamide (LDA) gives the corresponding 3(R)-benzyl derivative (XIV), which is deprotected with aqueous HF, yielding the hydroxymethyl compound (XV). The esterification of (XV) with trifluoromethanesulfonic anhydride affords the corresponding triflate (XVI), which is condensed with the chiral piperazine (VII) by means of diisopropylethylamine in isopropanol, giving the substituted furanone (XVII). Ring opening of the furanone (XVII) with LiOH, DME and imidazole yields the substituted hydroxypentanamide (XVIII), which is protected with tert-butyldimethylsilyl chloride to afford the protected amide (XIX). The trans-amidation of (XIX) with 2-hydroxyindan-1-amine (II) by means of 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide (EDC) and 1-hydroxybenzotriazole (HOBt) in DMF gives the protected dihydroxy diamide (XX), which is deprotected with trimethylsilyl triflate, affording the dihydroxy diamide (VII), already obtained. This compound is then alkylated with 3-(chloromethyl)pyridine (IX) as before.

合成路线图解说明:

5) The double bond of the pentenylamide (X) (as obtained in Scheme 1) is oxidized with OsO4 and N-methylmorpholine N-oxide in tert-butanol/water to give the 4(R,S),5-dihydroxy-compound (XXVI), which is esterified selectively with methanesulfonyl chloride, yielding the terminal monomesylate (XXVII). The condensation of (XXVII) with the chiral piperazine (VII) by means of K2CO3 in hot isopropanol yields the condensation product (XXVIII) with the (R,S)-configuration at the 4-OH group. The optical resolution of this 4-OH group with (S)-(+)-camphosulfonic acid affords the protected hydroxy-amide (XXV), already obtained in Scheme 19918303a.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.32653
标题:Regiospecific processes to make cis-1-amino-2-alkanol from diol or halohydrin
作者:Verhoeven, T.R.; Roberts, E.F.; Senanayake, C.H.; Ryan, K.M. (Merck & Co., Inc.)
来源:US 5449830
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.32674
标题:Process for making HIV protease inhibitors
作者:Askin, D.; Volante, R.P.; Eng, K.K. (Merck & Co., Inc.)
来源:WO 9502584
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

参考文献No.32675
标题:Process for making HIV protease inhibitors
作者:Askin, D.; Reider, P.; Rossen, K.; Varsolona, R.J.; Wells, K.M. (Merck & Co., Inc.)
来源:WO 9502583
合成路线图解说明:

4) The condensation of the chiral piperazine (VII) with (S)-(+)-glycicyl 3-nitrobenzenesulfonate (XXII) by means of diisopropylethylamine in DMF [or with (S)-glycidol (XXIII), tosyl chloride and NaH] gives the epoxide (XXIV), which is condensed with the propionamide (IV) by means of butyllithium in THF, yielding the protected hydroxyamide (XXV). The deprotection of (XXV) with aqueous HCl affords the dihydroxy-diamide (VIII), already obtained, which is finally alkylated with 3-(chloromethyl)pyridine (IX) as before.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.248904
标题:Highly diastereoselective reaction of a chiral, non-racemic amide enolate with (S)-glycidyl tosylate. Synthesis of the orally active HIV-1 protease inhibitor L-735,524
作者:Askin, D.; Eng, K.K.; Rossen, K.; Purick, R.M.; Wells, K.M.; Volante, R.P.; Reider, P.J.
来源:Tetrahedron Lett 1994,35(5),673-6
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

合成路线图解说明:

The condensation of indeno[1,2-d]oxazole derivative (I) with (S)-(+)-glycidyl tosylate (II) by means of LiHMDS gives the adduct (III), which is deprotected with HCl to yield the epoxide (IV). Finally, this compound is condensed with the dibenzylpyrrolidone (V) by means of P4 phosphazene base (commercially available) in THF to afford the target amide.

参考文献No.277091
标题:L-735,524: The design of a potent and orally bioavailable HIV protease inhibitor
作者:Dorsey, B.D.; Levin, R.B.; McDaniel, S.L.; Vacca, J.P.; Guare, J.P.; Darke, P.L.; Zugay, J.A.; Emini, E.A.; Schleif, W.A.; Quintero, J.C.; et al.
来源:J Med Chem 1994,37(21),3443-51
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.340820
标题:Asymmetric hydrogenation of tetrahydropyrazines: Synthesis of (S)-piperazine-2-tert-butylcarboxamide, an intermediate in the preparation of the HIV protease inhibitor indinavir
作者:Rossen, K.; Weissman, S.A.; Sager, J.; Reamer, R.A.; Askin, D.; Volante, R.P.; Reider, P.J.
来源:Tetrahedron Lett 1995,36(36),6419-22
合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

参考文献No.358424
标题:Diastereoselective syn-epoxidation of 2-alkyl-4-enamides to epoxyamides: Synthesis of the Merck HIV-1 protease inhibitor epoxide intermediate
作者:Maligres, P.E.; Upadhyay, V.; Rossen, K.; Cianciosi, S.J.; Purick, R.M.; Eng, K.K.; Reamer, R.A.; Askin, D.; Volante, R.P.; Reider, P.J.
来源:Tetrahedron Lett 1995,36(13),2195-8
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

参考文献No.361961
标题:Indinavir Sulfate
作者:Mealy, N.; Casta馿r, J.
来源:Drugs Fut 1996,21(6),600
合成路线图解说明:

1) The reaction of cis-(1S,2R)-indanediol (I) with acetonitrile and concentrated H2SO4 gives cis-(1S,2R)-1-aminoindan-2-ol (II), which is cyclocondensed with 3-phenylpropionyl chloride (III), isopropenyl methyl ether and triethylamine to yield the acetonide amide (IV). The condensation of amide (IV) with (S)-(+)-glycidyl p-toluenesulfonate (V) in the presence of lithium hexamethyldisylazide (LHS) affords the chiral epoxide (VI), which is condensed with 4-(tert-butoxycarbonyl)-N-tert-butylpiperazine-2(S)-carboxamide (VII) in refluxing isopropyl acetate and deprotected with aqueous HCl to give the dihydroxy-diamide (VIII). Finally, this compound is condensed with 3-(chloromethyl)pyridine (IX) by means of triethylamine in DMF. 2) The amide (IV) can also be alkylated with allyl bromide and butyllithium to the pentenyl amide (X), which is diastereoselectively converted to the chiral iodohydrine (XI) by means of N-iodosuccinimide (NIS). Finally, this compound is cyclized in basic medium, yielding the epoxide (VI), already obtained.

合成路线图解说明:

3) The alkylation of 5(S)-(tert-butyldimethylsilyloxymethyl)tetrahydrofuran-2-one (XII) by means of benzyl bromide (XIII) and lithium diisopropylamide (LDA) gives the corresponding 3(R)-benzyl derivative (XIV), which is deprotected with aqueous HF, yielding the hydroxymethyl compound (XV). The esterification of (XV) with trifluoromethanesulfonic anhydride affords the corresponding triflate (XVI), which is condensed with the chiral piperazine (VII) by means of diisopropylethylamine in isopropanol, giving the substituted furanone (XVII). Ring opening of the furanone (XVII) with LiOH, DME and imidazole yields the substituted hydroxypentanamide (XVIII), which is protected with tert-butyldimethylsilyl chloride to afford the protected amide (XIX). The trans-amidation of (XIX) with 2-hydroxyindan-1-amine (II) by means of 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide (EDC) and 1-hydroxybenzotriazole (HOBt) in DMF gives the protected dihydroxy diamide (XX), which is deprotected with trimethylsilyl triflate, affording the dihydroxy diamide (VII), already obtained. This compound is then alkylated with 3-(chloromethyl)pyridine (IX) as before.

合成路线图解说明:

4) The condensation of the chiral piperazine (VII) with (S)-(+)-glycicyl 3-nitrobenzenesulfonate (XXII) by means of diisopropylethylamine in DMF [or with (S)-glycidol (XXIII), tosyl chloride and NaH] gives the epoxide (XXIV), which is condensed with the propionamide (IV) by means of butyllithium in THF, yielding the protected hydroxyamide (XXV). The deprotection of (XXV) with aqueous HCl affords the dihydroxy-diamide (VIII), already obtained, which is finally alkylated with 3-(chloromethyl)pyridine (IX) as before.

合成路线图解说明:

5) The double bond of the pentenylamide (X) (as obtained in Scheme 1) is oxidized with OsO4 and N-methylmorpholine N-oxide in tert-butanol/water to give the 4(R,S),5-dihydroxy-compound (XXVI), which is esterified selectively with methanesulfonyl chloride, yielding the terminal monomesylate (XXVII). The condensation of (XXVII) with the chiral piperazine (VII) by means of K2CO3 in hot isopropanol yields the condensation product (XXVIII) with the (R,S)-configuration at the 4-OH group. The optical resolution of this 4-OH group with (S)-(+)-camphosulfonic acid affords the protected hydroxy-amide (XXV), already obtained in Scheme 19918303a.

合成路线图解说明:

6) The chiral piperazine (VII) can be obtained by several different ways: 6a) The sequential protection of piperazine-2(S)-carboxylic acid (XXIX) gives 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2(S)-carboxylic acid (XXX), which is condensed with tert-butylamine by means of EDC and HOBt to afford the tert-butylamide (XXXI). Finally, this compound is selectively deprotected by hydrogenation with H2 over Pd/C in methanol, yielding the chiral piperazine (VII). 6b) The partial hydrogenation of N-tert-butylpyrazine-2-carboxamide (XXXII) with H2 over Pd/C gives the tetrahydro derivative (XXXIII), which is sequentially protected as usual to the 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-1,4,5,6-tetrahydropyrazin e -2-carboxamide (XXXIV). Finally, this compound is hydrogenated using the chiral catalyst [R-BINAP(COD)Rh]OTf to afford the chiral piperazine (XXXI), already obtained. 6c) The N-tert-butylpyrazine-2-carboxamide (XXXII) is fully reduced with H2 over Pd/C in propanol, giving the racemic N-tert-butylpiperazine-2-carboxamide (XXXV), which is submitted to optical resolution with (S)-(+)-camphosulfonic acid, yielding the (S)-isomer (XXXVI), which is then selectively protected with tert-butoxycarbonyl anhydride to give the desired chiral amide (VII).

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