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【结 构 式】 
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【分子编号】44326 【品名】(E)-1-(4-acetyl-1-piperazinyl)-3-(4-chloro-3-nitrophenyl)-2-propen-1-one 【CA登记号】 |
【 分 子 式 】C15H16ClN3O4 【 分 子 量 】337.76256 【元素组成】C 53.34% H 4.77% Cl 10.5% N 12.44% O 18.95% |
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)Coupling of 4-chloro-3-nitrocinnamic acid (I) with 1-acetylpiperazine (II) using EDC gave rise to the corresponding amide (III). Displacement of the chlorine atom of (III) with 2-isopropylthiophenol (IV) in the presence of K2CO3 furnished the title thioether.
| 【1】 Liu, G.; et al.; Discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 1. Identification of an additional binding pocket based on an anilido diaryl sulfide lead. J Med Chem 2000, 43, 21, 4025. |
| 【2】 Lynch, J.K.; Link, J.; Zhu, G.-D.; Boyd, S.A.; Winn, M.; Pei, Z.; Gunawardana, I.W.; Liu, G.; Xin, Z.; Jae, H.-S.; Freeman, J.C.; Von Geldern, T.; Staeger, M.A. (Abbott Laboratories Inc.); Cell adhesion-inhibiting antiinflammatory and immune-suppressive cpds.. US 6110922; WO 0039081 . |
| 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) | 44325 | (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid | 20797-48-2 | C9H6ClNO4 | 详情 | 详情 |
| (II) | 20674 | N-Acetyl piperazine; 1-(1-piperazinyl)-1-ethanone | 13889-98-0 | C6H12N2O | 详情 | 详情 |
| (III) | 44326 | (E)-1-(4-acetyl-1-piperazinyl)-3-(4-chloro-3-nitrophenyl)-2-propen-1-one | C15H16ClN3O4 | 详情 | 详情 | |
| (IV) | 44327 | 2-isopropylbenzenethiol; 2-isopropylphenylhydrosulfide | C9H12S | 详情 | 详情 |
Extended Information