methyl 3,5-dichloro-2,4-dihydroxybenzoate -Drug Synthesis Database

【结构式】

【分子编号】32590

【品名】methyl 3,5-dichloro-2,4-dihydroxybenzoate

【CA登记号】

【分子式】C₈H₆Cl₂O₄

【分子量】237.03864

【元素组成】C 40.54% H 2.55% Cl 29.91% O 27%

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：(II)

Mitsunobu coupling of 2-(4-methylpiperazin-1-yl)ethanol (I) with 3,5-dichloro-2,4-dihydroxybenzoic acid (II) in the presence of diisopropyl azodicarboxylate and triphenylphosphine afforded ether (III). Subsequent hydrolysis of the methyl ester group of (III) provided acid (IV), which was coupled with L-phenylalanine methyl ester-HCl (V) employing EDC and HOBt. The title compound was finally isolated as the corresponding dihydrochloride salt.

参考文献中间体

合成目标

【1】 Haruta, J.; Sakuma, K.; Watanabe, Y. (Japan Tobacco Inc.); Amide compounds and use of the same. EP 0849256 .

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)	32589	2-(4-methyl-1-piperazinyl)-1-ethanol	5464-12-0	C₇H₁₆N₂O	详情	详情
(II)	32590	methyl 3,5-dichloro-2,4-dihydroxybenzoate		C₈H₆Cl₂O₄	详情	详情
(III)	32591	methyl 3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoate		C₁₅H₂₀Cl₂N₂O₄	详情	详情
(IV)	32592	3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoic acid		C₁₄H₁₈Cl₂N₂O₄	详情	详情
(V)	32593	ethyl (2S)-2-amino-3-phenylpropanoate		C₁₁H₁₅NO₂	详情	详情

Extended Information