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【结 构 式】 
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【分子编号】37050 【品名】1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene 【CA登记号】3312-04-7 |
【 分 子 式 】C16H15ClF2 【 分 子 量 】280.7446064 【元素组成】C 68.45% H 5.39% Cl 12.63% F 13.53% |
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：(V)The condensation of N-benzylpiperazine (I) with ethyl isocyanate (II) in refluxing ether gives N-ethyl-4-benzyl-1-piperazinecarboxamide (III), which is debenzylated by hydrogenolysis with H2 over Pd/C in ethanol - HCl yielding N'-ethyl-1-piperazinecarboxarnide (IV). Finally, this compound is condensed with 1,1-bis(4-fluorophenyl)-4-chlorobutane (V) by means of NaHCO3 in refluxing ethanol.
| 【1】 Bjoerk, A.K.K.; Olsson, K.G.; Abramo, A.L.; Christensson, E.G.; DE 2941880 . |
| 【2】 Gluchowski, C.; Chiu, G.; Marzabadi, M.R.; Nagarathnam, D.; Lagu, B.; Noble, S.; Wetzel, J.; Deleon, J.E. (Synaptic Pharmaceutical Corp.); Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof. EP 1299362; WO 0206245 . |
| 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) | 28542 | N-Benzylpiperazine; 1-Benzylpiperazine | 2759-28-6 | C11H16N2 | 详情 | 详情 |
| (II) | 28738 | ethyl isocyanate | 109-90-0 | C3H5NO | 详情 | 详情 |
| (III) | 37048 | 4-benzyl-N-ethyl-1-piperazinecarboxamide | C14H21N3O | 详情 | 详情 | |
| (IV) | 37049 | N-ethyl-1-piperazinecarboxamide | C7H15N3O | 详情 | 详情 | |
| (V) | 37050 | 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene | 3312-04-7 | C16H15ClF2 | 详情 | 详情 |
Extended Information