tert-butyl (1R,3S)-3-[[((1S)-2-methoxy-2-oxo-1-[4-[(2,4,6-trichlorobenzoyl)amino]benzyl]ethyl)amino]carbonyl]-1,2,2-trimethylcyclopentanecarboxylate -Drug Synthesis Database

【结构式】

【分子编号】32584

【品名】tert-butyl (1R,3S)-3-[[((1S)-2-methoxy-2-oxo-1-[4-[(2,4,6-trichlorobenzoyl)amino]benzyl]ethyl)amino]carbonyl]-1,2,2-trimethylcyclopentanecarboxylate

【CA登记号】

【分子式】C₃₁H₃₇Cl₃N₂O₆

【分子量】640.00276

【元素组成】C 58.18% H 5.83% Cl 16.62% N 4.38% O 15%

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：(XII)

Coupling of aniline (X) with 2,4,6-trichlorobenzoyl chloride (XI) generated amide (XII). Subsequent deprotection of the tert-butyl ester group of (XII) by means of trifluoroacetic acid gave acid (XIII). Finally, the methyl ester group of (XIII) was hydrolyzed with LiOH to furnish the title compound.

参考文献中间体

合成目标

【1】 Rishton, G.; Chrusciel, R.A.; Yamagishi, M.; Polinsky, A.; Thomas, E.W.; Lobl, T.J.; Tanis, S.P.; Teegarden, B.; Fisher, J.F. (Pharmacia Corp.; Tanabe Seiyaku Co., Ltd.); Inhibitors of alpha4beta1 mediated cell adhesion. EP 0991619; WO 9858902 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(X)	32583	tert-butyl (1R,3S)-3-([[(1S)-1-(4-aminobenzyl)-2-methoxy-2-oxoethyl]amino]carbonyl)-1,2,2-trimethylcyclopentanecarboxylate		C₂₄H₃₆N₂O₅	详情	详情
(XI)	25718	2,4,6-trichlorobenzoyl chloride	4136-95-2	C₇H₂Cl₄O	详情	详情
(XII)	32584	tert-butyl (1R,3S)-3-[[((1S)-2-methoxy-2-oxo-1-[4-[(2,4,6-trichlorobenzoyl)amino]benzyl]ethyl)amino]carbonyl]-1,2,2-trimethylcyclopentanecarboxylate		C₃₁H₃₇Cl₃N₂O₆	详情	详情
(XIII)	32585	(1R,3S)-3-[[((1S)-2-methoxy-2-oxo-1-[4-[(2,4,6-trichlorobenzoyl)amino]benzyl]ethyl)amino]carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid		C₂₇H₂₉Cl₃N₂O₆	详情	详情

Extended Information