1-benzenecarboxylic (4R)-3-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic anhydride -Drug Synthesis Database

【结构式】

【分子编号】59140

【品名】1-benzenecarboxylic (4R)-3-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic anhydride

【CA登记号】

【分子式】C₃₁H₄₄O₅

【分子量】496.68736

【元素组成】C 74.96% H 8.93% O 16.11%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(VII)

In a related method, ursodeoxycholic acid (I) was activated as either the mixed anhydrides (VI) or (VII) with pivaloyl chloride or benzoyl chloride, respectively. Subsequent coupling with taurine (III) produced the title conjugated bile acid.

参考文献中间体

合成目标

【1】 Rossetti, V.; Arosio, R. (Sanofi-Synthelabo); Process for the preparation of taurocholic acids. EP 0629634 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	48093	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid	128-13-2	C₂₄H₄₀O₄	详情	详情
(III)	34828	2-amino-1-ethanesulfonic acid	107-35-7	C₂H₇NO₃S	详情	详情
(VI)	59139	(4R)-3-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic 1,1-dimethylpropanoic anhydride		C₂₉H₄₈O₅	详情	详情
(VII)	59140	1-benzenecarboxylic (4R)-3-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic anhydride		C₃₁H₄₄O₅	详情	详情

Extended Information