【药物名称】Cizolirtine citrate, E-3710 citrate, E-4018, E-4961((S)-isomer), E-4960((R)-isomer)
化学结构式(Chemical Structure):
参考文献No.9251
标题:Aryl-heteroaryl-carbinol derivs. having an analgesic activity
作者:Colombo, A.; Par閟, J.; Frigola, J. (Laboratorios del Dr. Esteve, SA)
来源:EP 0289380; FR 2613720; JP 1988267761; US 5017596
合成路线图解说明:

The key compound 5-(alpha-hydroxybenzyl)-1-methyl-1H-pyrazole [(?-I] was obtained by two related ways: 1) by condensation of N-methylpyrazole with benzonitrile and butyl lithium in tetrahydrofuran and reduction of the obtained ketone with sodium borohydride in methanol or 2) by condensation of N-methylpyrazole with benzaldehyde and butyl lithium in THF/toluene. The alkylation of [(?-I] with 2-(dimethylamino)ethyl chloride hydrochloride was carried out using phase transfer conditions and reaction with citric acid using propanone as solvent.

参考文献No.56776
标题:Process for obtaining enantiomers of cizolirtine
作者:Frigola-Constansa, J.; Torrens-Jover, A. (Laboratorios del Dr. Esteve, SA)
来源:EP 1029852; ES 2130083; US 6118009; WO 9907684
合成路线图解说明:

Asymmetric reduction of ketone (III) with catecholborane or borane璵ethyl sulfide complex and CBS-oxazaborolidene as catalyst afforded [(R)-(+)-I] or [(S)-(?-I].

参考文献No.56777
标题:Method for separating carbinols
作者:Frigola Constansa, J.; Cuberes Altisent, M.R.; Berrocal Romero, J.M.; Gotor Santamaria, V. (Laboratorios del Dr. Esteve, SA)
来源:ES 2128959; FR 2742147; US 5849931; WO 9720817
合成路线图解说明:

The transesterification of [(?-I] with vinyl acetate enzymatically catalyzed (lipase) allowed the selective recovery of the enatiomer [(R)-(+)-I] and the hydrolysis and racemization of the undesired enantiomer [(S)-(?-II] with hydrochloric acid.

参考文献No.56778
标题:Resolution of amines
作者:Frigola-Constansa, J.; Torrens-Jover, A. (Laboratorios del Dr. Esteve, SA)
来源:EP 1024137; ES 2130079; US 6187930; WO 9902500
合成路线图解说明:

The optical resolution of (?-cizolirtine was accomplished by recrystallizing diastereoisomeric salts formed with the antipodes of di-p-toluoyltartaric acid in isopropanol.

参考文献No.692100
标题:Cizolirtine Citrate
作者:Farr? A.J.; Frigola, J.
来源:Drugs Fut 2002,27(8),721
合成路线图解说明:

The key compound 5-(alpha-hydroxybenzyl)-1-methyl-1H-pyrazole [(?-I] was obtained by two related ways: 1) by condensation of N-methylpyrazole with benzonitrile and butyl lithium in tetrahydrofuran and reduction of the obtained ketone with sodium borohydride in methanol or 2) by condensation of N-methylpyrazole with benzaldehyde and butyl lithium in THF/toluene. The alkylation of [(?-I] with 2-(dimethylamino)ethyl chloride hydrochloride was carried out using phase transfer conditions and reaction with citric acid using propanone as solvent.

合成路线图解说明:

The optical resolution of (?-cizolirtine was accomplished by recrystallizing diastereoisomeric salts formed with the antipodes of di-p-toluoyltartaric acid in isopropanol.

合成路线图解说明:

Resolution of alcohol [(?-I] as its diastereomeric O-acetylmandelate esters and saponification of each of them in ethanol in the presence of catalytic amounts of sodium cyanide yielded the enantiomerically pure alcohols [(R)-(+)-I] and [(S)-(?-I].

合成路线图解说明:

The transesterification of [(?-I] with vinyl acetate enzymatically catalyzed (lipase) allowed the selective recovery of the enatiomer [(R)-(+)-I] and the hydrolysis and racemization of the undesired enantiomer [(S)-(?-II] with hydrochloric acid.

合成路线图解说明:

Asymmetric reduction of ketone (III) with catecholborane or borane璵ethyl sulfide complex and CBS-oxazaborolidene as catalyst afforded [(R)-(+)-I] or [(S)-(?-I].

合成路线图解说明:

Ethyl (R)-mandelate [(R)-IV] was protected as its tert-butyldimethylsilyl ether and reduced with DIBAL to [(R)-V], which was treated with ethoxycarbonylmethyl-enetriphenylphosphorane, followed by reduction to give [(R)-VI]. Subsequent oxidation to [(R)-VII] and cyclization by reaction with methylhydrazine afforded a mixture of pyrazolines [(R)-VIII]. Oxidation to pyrazole and deprotection yielded [(R)-(+)-I].

参考文献No.692911
标题:Preparation of the enantiomers of the analgesic E-3710
作者:Hueso, J.; Frigola, J.; Farr? A.; Berrocal, J.; Gutierrez, B.
来源:Bioorg Med Chem Lett 1993,3(2),269
合成路线图解说明:

Resolution of alcohol [(?-I] as its diastereomeric O-acetylmandelate esters and saponification of each of them in ethanol in the presence of catalytic amounts of sodium cyanide yielded the enantiomerically pure alcohols [(R)-(+)-I] and [(S)-(?-I].

合成路线图解说明:

Ethyl (R)-mandelate [(R)-IV] was protected as its tert-butyldimethylsilyl ether and reduced with DIBAL to [(R)-V], which was treated with ethoxycarbonylmethyl-enetriphenylphosphorane, followed by reduction to give [(R)-VI]. Subsequent oxidation to [(R)-VII] and cyclization by reaction with methylhydrazine afforded a mixture of pyrazolines [(R)-VIII]. Oxidation to pyrazole and deprotection yielded [(R)-(+)-I].

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