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【结 构 式】 
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【分子编号】43913 【品名】(E)-3-[4-[(2-chloroethyl)sulfanyl]phenyl]-2-propenoic acid 【CA登记号】 |
【 分 子 式 】C11H11ClO2S 【 分 子 量 】242.72584 【元素组成】C 54.43% H 4.57% Cl 14.61% O 13.18% S 13.21% |
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：(III)Reaction of 4-mercaptocinnamic acid (I) with 2-chloroethanol in the presence of NaOH afforded the hydroxyethyl sulfide (II), which was converted into the chloroethyl derivative (III) upon treatment with mesyl chloride and 37% HCl in hot pyridine. Coupling of carboxylic acid (III) with desformyldistamycin (IV) by means of DCC and HOBt gave rise to the title amide.
| 【1】 Ragg, E.; Beria, I.; Caldarelli, M.; Geroni, C.; Capolongo, L.; Cozzi, P.; Mazzini, S.; Phenyl sulfur mustard derivatives of distamycin A. Bioorg Med Chem Lett 2000, 10, 15, 1653. |
| 【2】 Beria, I.; Caldarelli, M.; Capolongo, L.; Geroni, M.C.; Cozzi, P. (Pharmacia & Upjohn SpA); Sulfurated distamycin derivs., process for preparing them, and their use as antitumor agents. WO 0006541 . |
| 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) | 43911 | (E)-3-(4-sulfanylphenyl)-2-propenoic acid | C9H8O2S | 详情 | 详情 | |
| (II) | 43912 | (E)-3-[4-[(2-hydroxyethyl)sulfanyl]phenyl]-2-propenoic acid | C11H12O3S | 详情 | 详情 | |
| (III) | 43913 | (E)-3-[4-[(2-chloroethyl)sulfanyl]phenyl]-2-propenoic acid | C11H11ClO2S | 详情 | 详情 | |
| (IV) | 26888 | N-(3-amino-3-iminopropyl)-4-[[(4-[[(4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide | C21H27N9O3 | 详情 | 详情 |
Extended Information