(4S)-4-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-5-[(2,6-dichlorobenzyl)oxy]-5-oxopentanoic acid -Drug Synthesis Database

【结构式】

【分子编号】56838

【品名】(4S)-4-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-5-[(2,6-dichlorobenzyl)oxy]-5-oxopentanoic acid

【CA登记号】

【分子式】C₂₇H₂₇Cl₂N₇O₇

【分子量】632.45976

【元素组成】C 51.28% H 4.3% Cl 11.21% N 15.5% O 17.71%

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：(XXVIII)

In a further method for the separation of the diastereomeric mixture, (6R,S)-folinic acid (XXVIa-b) was converted to the alpha 2,6-dichlorobenzyl ester upon treatment with 2,6-dichlorobenzyl bromide (XXVII) and Na2CO3. The resultant diastereomeric esters were easily separated by column chromatography to provide the (6S)-isomer (XXVIII), which was finally converted to the title compound by saponification of the benzyl ester group.

参考文献中间体

合成目标

【1】 Fitzhugh, A.L.; Akee, R.K. (US Department of Health & Human Services); Process for separating the diastereomers of (6R,6S)-5,6,7,8-tetrahydrofolic acid derivs.. US 5698693 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(XXVIa)	56836	(2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioic acid		C₂₀H₂₃N₇O₇	详情	详情
(XXVIb)	56837	(2S)-2-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioic acid		C₂₀H₂₃N₇O₇	详情	详情
(XXVII)	40793	2-(bromomethyl)-1,3-dichlorobenzene	20443-98-5	C₇H₅BrCl₂	详情	详情
(XXVIII)	56838	(4S)-4-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]amino}-5-[(2,6-dichlorobenzyl)oxy]-5-oxopentanoic acid		C₂₇H₂₇Cl₂N₇O₇	详情	详情

Extended Information