【药物名称】J-111347
化学结构式(Chemical Structure):
参考文献No.39724
标题:Carbapenem derivs.
作者:Ushijima, R.; Sugimoto, Y.; Shimizu, A.; Kiyonaga, H.; Nagano, R.; Nakagawa, S.; Sakuraba, S.; Sato, H.; Hashizume, T.; Nakano, M.; Imamura, H.; Fukatsu, H. (Banyu Pharmaceutical Co., Ltd.)
来源:EP 1048669; JP 2000143512; WO 9931106
合成路线图解说明:

The reaction of the acetonide of (R)-3,4-dihydroxybutanal (I) with the silylated 4-bromobenzyl alcohol (II) by means of n-BuLi in THF gives the corresponding carbinol (III), which is oxidized to the ethanone (IV) by means of tetrapropylammonium perruthenate (TPAP) and NMO in dichloromethane. The enantioselective reduction of the ketone (IV) by means of LiAlH4 and an excess of LiI in ethyl ether gives the (R,S)-enantiomer (V), which is mesylated with MsCl/TEA in dichloromethane and treated with NaN3 in hot DMF to yield the azide (VI). The reduction of (VI) with triphenylphosphine in THF/water affords the amine (VII), which is treated with allyl chloroformate and TEA in THF providing the carbamate (VIII). The desilylation of (VIII) with TBAF in THF gives the benzyl alcohol (IX), which is mesylated with MsCl and TEA in dichloromethane yielding the mesyl ester (X). The reaction of (X) with NaN3 in DMF affords the azide (XI), which is reduced as before to the benzylamine (XII). The reaction of (XII) with allyl chloroformate provides the bis carbamate (XIII).

合成路线图解说明:

Compound (XIII) is treated with TsOH in methanol to eliminate the acetonide group and yield the diol (XIV). The dimesylation of (XIV) with MsCl and TEA as before affords the dimesylate (XV). The cyclization of (XV) by means of t-BuOK in THF gives the pyrrolidine (XVI), which is treated with potassium thioacetate in hot DMF to yield the acetylsulfanyl derivative (XVII).The selective hydrolysis of (XVII) with NaOH in methanol affords the thiol (XVIII), which is condensed with the protected carbapenem (XIX) by means of DIEA in acetonitrile to furnish the protected target compound (XX). Finally, this compound is deprotected by a treatment with (PPh3)2PdCl2 and Bu3SnH in dichloromethane/water.

合成路线图解说明:

The protection of 4(R)-hydroxypyrrolidin-2-one (I) first with TBDMS-Cl and then with Boc2O gives the fully protected compound (II), which is condensed with the Grignard reagent of the 4-bromobenzaldehyde dimethyl acetal (III) yielding after working up the substituted benzaldehyde (IV). The reduction of (IV) with NaBH4 affords the benzyl alcohol (V), which is treated with methanesulfonyl chloride to give the corresponding mesylate (VI). The reaction of (VI) with methylamine, followed by protection with Boc2O yields the protected secondary amine (VII), which is desilylated with tetrabutylammonium fluoride to afford the pyrrolidinol (VIII). The reaction of (VIII) with MsCl gives the mesylate (IX), which is treated with potassium thioacetate to provide the acetylsulfanyl derivative (X). The hydrolysis and deprotection of (X) with HCl yields the pyrrolidinethiol (XI), which is condensed with the carbapenem phosphoric ester (XII) to afford the final 4-nitrobenzyl ester intermediate (XIII). Finally, this compound is debenzylated by hydrogenation with H2 over Pd/C.

合成路线图解说明:

(R)-4-hydroxy-2-pyrrolidinone (I) was protected as the tert-butyldimethylsilyl ether, and then converted to tert-butyl carbamate (II) by means of Boc2O. Subsequent condensation of (II) with Grignard reagent (III), followed by reduction with NaBH4, and acetal hydrolysis yielded the pyrrolidinyl benzaldehyde (IV). Horner-Emmons reaction of (IV) with phosphonate (V) produced the cinnamic acid derivative (VI), and further Michael addition of the chiral lithium amide (VII) furnished aminoester (VIII). After hydrogenolysis of both N-benzyl groups of (VIII), the resulting primary amine (IX) was protected with Boc2O, and the silyl ether was then cleaved by means of tetrabutylammonium fluoride to give the hydroxypyrrolidine derivative (X). This was converted to the required thiol (XI), which was then coupled with the carbapenem phosphate (XII). Finally, hydrogenolysis of the 4-nitrobenzyl ester of (XII) provided the title compound.

合成路线图解说明:

(R)-4-hydroxy-2-pyrrolidinone (I) was protected as the tert-butyldimethylsilyl ether, and then converted to tert-butyl carbamate (II) by means of Boc2O. Subsequent condensation of (II) with Grignard reagent (III), followed by reduction with NaBH4, and acetal hydrolysis yielded the pyrrolidinyl benzaldehyde (IV). Horner-Emmons reaction of (IV) with phosphonate (V) produced the cinnamic acid derivative (VI), and further Michael addition to (VI) of the chiral lithium amide (VII) furnished aminoester (VIII). After hydrogenolysis of both N-benzyl groups of (VIII), the resulting primary amine (IX) was protected with Boc2O, and the silyl ether was then cleaved by means of tetrabutylammonium fluoride to give the hydroxypyrrolidine derivative (X). This was converted to the required thiol (XI), which was then coupled with the carbapenem phosphate (XII). Finally, hydrogenolysis of the 4-nitrobenzyl ester of (XII) provided the title compound.

参考文献No.565098
标题:Structure-activity relationships of trans-3,5-disubstituted pyrrolidinylthio-1beta-methylcarbapenems. Part 1: J-111,347 and related compounds
作者:Imamura, H.; Ohtake, N.; Shimizu, A.; Jona, H.; Sato, H.; Nagano, R.; Ushijima, R.; Yamada, K.; Hashizume, T.; Morishima, H.
来源:Bioorg Med Chem Lett 2000,10(2),109
合成路线图解说明:

The reaction of the acetonide of (R)-3,4-dihydroxybutanal (I) with the silylated 4-bromobenzyl alcohol (II) by means of n-BuLi in THF gives the corresponding carbinol (III), which is oxidized to the ethanone (IV) by means of tetrapropylammonium perruthenate (TPAP) and NMO in dichloromethane. The enantioselective reduction of the ketone (IV) by means of LiAlH4 and an excess of LiI in ethyl ether gives the (R,S)-enantiomer (V), which is mesylated with MsCl/TEA in dichloromethane and treated with NaN3 in hot DMF to yield the azide (VI). The reduction of (VI) with triphenylphosphine in THF/water affords the amine (VII), which is treated with allyl chloroformate and TEA in THF providing the carbamate (VIII). The desilylation of (VIII) with TBAF in THF gives the benzyl alcohol (IX), which is mesylated with MsCl and TEA in dichloromethane yielding the mesyl ester (X). The reaction of (X) with NaN3 in DMF affords the azide (XI), which is reduced as before to the benzylamine (XII). The reaction of (XII) with allyl chloroformate provides the bis carbamate (XIII).

合成路线图解说明:

Compound (XIII) is treated with TsOH in methanol to eliminate the acetonide group and yield the diol (XIV). The dimesylation of (XIV) with MsCl and TEA as before affords the dimesylate (XV). The cyclization of (XV) by means of t-BuOK in THF gives the pyrrolidine (XVI), which is treated with potassium thioacetate in hot DMF to yield the acetylsulfanyl derivative (XVII).The selective hydrolysis of (XVII) with NaOH in methanol affords the thiol (XVIII), which is condensed with the protected carbapenem (XIX) by means of DIEA in acetonitrile to furnish the protected target compound (XX). Finally, this compound is deprotected by a treatment with (PPh3)2PdCl2 and Bu3SnH in dichloromethane/water.

参考文献No.566795
标题:Synthesis of J-111,347, a novel 1beta-methylcarbapenem with broad-spectrum antibacterial activity
作者:Imamura, H.; Ohtake, N.; Sakuraba, S.; Shimizu, A.; Yamada, K.; Morishima, H.
来源:Chem Pharm Bull 2000,48(2),310
合成路线图解说明:

The reaction of the acetonide of (R)-3,4-dihydroxybutanal (I) with the silylated 4-bromobenzyl alcohol (II) by means of n-BuLi in THF gives the corresponding carbinol (III), which is oxidized to the ethanone (IV) by means of tetrapropylammonium perruthenate (TPAP) and NMO in dichloromethane. The enantioselective reduction of the ketone (IV) by means of LiAlH4 and an excess of LiI in ethyl ether gives the (R,S)-enantiomer (V), which is mesylated with MsCl/TEA in dichloromethane and treated with NaN3 in hot DMF to yield the azide (VI). The reduction of (VI) with triphenylphosphine in THF/water affords the amine (VII), which is treated with allyl chloroformate and TEA in THF providing the carbamate (VIII). The desilylation of (VIII) with TBAF in THF gives the benzyl alcohol (IX), which is mesylated with MsCl and TEA in dichloromethane yielding the mesyl ester (X). The reaction of (X) with NaN3 in DMF affords the azide (XI), which is reduced as before to the benzylamine (XII). The reaction of (XII) with allyl chloroformate provides the bis carbamate (XIII).

合成路线图解说明:

Compound (XIII) is treated with TsOH in methanol to eliminate the acetonide group and yield the diol (XIV). The dimesylation of (XIV) with MsCl and TEA as before affords the dimesylate (XV). The cyclization of (XV) by means of t-BuOK in THF gives the pyrrolidine (XVI), which is treated with potassium thioacetate in hot DMF to yield the acetylsulfanyl derivative (XVII).The selective hydrolysis of (XVII) with NaOH in methanol affords the thiol (XVIII), which is condensed with the protected carbapenem (XIX) by means of DIEA in acetonitrile to furnish the protected target compound (XX). Finally, this compound is deprotected by a treatment with (PPh3)2PdCl2 and Bu3SnH in dichloromethane/water.

参考文献No.590759
标题:Discovery of novel trans-3,5-disubstituted pyrrolidinylthio-1beta-methylcarbapenems
作者:Imamura, H.; Ohtake, N.; Shimizu, A.; Sato, H.; Sugimoto, Y.; Sakuraba, S.; Nagano, R.; Nakano, M.; Abe, S.; Suzuki-Sato, C.; Nishimura, I.; Kojima, H.; Tsuchiya, Y.; Yamada, K.; Hashizume, T.; Morishima, H.
来源:Bioorg Med Chem 2000,8(8),1969
合成路线图解说明:

The reaction of the acetonide of (R)-3,4-dihydroxybutanal (I) with the silylated 4-bromobenzyl alcohol (II) by means of n-BuLi in THF gives the corresponding carbinol (III), which is oxidized to the ethanone (IV) by means of tetrapropylammonium perruthenate (TPAP) and NMO in dichloromethane. The enantioselective reduction of the ketone (IV) by means of LiAlH4 and an excess of LiI in ethyl ether gives the (R,S)-enantiomer (V), which is mesylated with MsCl/TEA in dichloromethane and treated with NaN3 in hot DMF to yield the azide (VI). The reduction of (VI) with triphenylphosphine in THF/water affords the amine (VII), which is treated with allyl chloroformate and TEA in THF providing the carbamate (VIII). The desilylation of (VIII) with TBAF in THF gives the benzyl alcohol (IX), which is mesylated with MsCl and TEA in dichloromethane yielding the mesyl ester (X). The reaction of (X) with NaN3 in DMF affords the azide (XI), which is reduced as before to the benzylamine (XII). The reaction of (XII) with allyl chloroformate provides the bis carbamate (XIII).

合成路线图解说明:

Compound (XIII) is treated with TsOH in methanol to eliminate the acetonide group and yield the diol (XIV). The dimesylation of (XIV) with MsCl and TEA as before affords the dimesylate (XV). The cyclization of (XV) by means of t-BuOK in THF gives the pyrrolidine (XVI), which is treated with potassium thioacetate in hot DMF to yield the acetylsulfanyl derivative (XVII).The selective hydrolysis of (XVII) with NaOH in methanol affords the thiol (XVIII), which is condensed with the protected carbapenem (XIX) by means of DIEA in acetonitrile to furnish the protected target compound (XX). Finally, this compound is deprotected by a treatment with (PPh3)2PdCl2 and Bu3SnH in dichloromethane/water.

合成路线图解说明:

The protection of 4(R)-hydroxypyrrolidin-2-one (I) first with TBDMS-Cl and then with Boc2O gives the fully protected compound (II), which is condensed with the Grignard reagent of the 4-bromobenzaldehyde dimethyl acetal (III) yielding after working up the substituted benzaldehyde (IV). The reduction of (IV) with NaBH4 affords the benzyl alcohol (V), which is treated with methanesulfonyl chloride to give the corresponding mesylate (VI). The reaction of (VI) with methylamine, followed by protection with Boc2O yields the protected secondary amine (VII), which is desilylated with tetrabutylammonium fluoride to afford the pyrrolidinol (VIII). The reaction of (VIII) with MsCl gives the mesylate (IX), which is treated with potassium thioacetate to provide the acetylsulfanyl derivative (X). The hydrolysis and deprotection of (X) with HCl yields the pyrrolidinethiol (XI), which is condensed with the carbapenem phosphoric ester (XII) to afford the final 4-nitrobenzyl ester intermediate (XIII). Finally, this compound is debenzylated by hydrogenation with H2 over Pd/C.

合成路线图解说明:

(R)-4-hydroxy-2-pyrrolidinone (I) was protected as the tert-butyldimethylsilyl ether, and then converted to tert-butyl carbamate (II) by means of Boc2O. Subsequent condensation of (II) with Grignard reagent (III), followed by reduction with NaBH4, and acetal hydrolysis yielded the pyrrolidinyl benzaldehyde (IV). Horner-Emmons reaction of (IV) with phosphonate (V) produced the cinnamic acid derivative (VI), and further Michael addition of the chiral lithium amide (VII) furnished aminoester (VIII). After hydrogenolysis of both N-benzyl groups of (VIII), the resulting primary amine (IX) was protected with Boc2O, and the silyl ether was then cleaved by means of tetrabutylammonium fluoride to give the hydroxypyrrolidine derivative (X). This was converted to the required thiol (XI), which was then coupled with the carbapenem phosphate (XII). Finally, hydrogenolysis of the 4-nitrobenzyl ester of (XII) provided the title compound.

合成路线图解说明:

(R)-4-hydroxy-2-pyrrolidinone (I) was protected as the tert-butyldimethylsilyl ether, and then converted to tert-butyl carbamate (II) by means of Boc2O. Subsequent condensation of (II) with Grignard reagent (III), followed by reduction with NaBH4, and acetal hydrolysis yielded the pyrrolidinyl benzaldehyde (IV). Horner-Emmons reaction of (IV) with phosphonate (V) produced the cinnamic acid derivative (VI), and further Michael addition to (VI) of the chiral lithium amide (VII) furnished aminoester (VIII). After hydrogenolysis of both N-benzyl groups of (VIII), the resulting primary amine (IX) was protected with Boc2O, and the silyl ether was then cleaved by means of tetrabutylammonium fluoride to give the hydroxypyrrolidine derivative (X). This was converted to the required thiol (XI), which was then coupled with the carbapenem phosphate (XII). Finally, hydrogenolysis of the 4-nitrobenzyl ester of (XII) provided the title compound.

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