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【结 构 式】 
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【分子编号】31227 【品名】N-cyclohexyl-4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-piperazinecarboxamide 【CA登记号】 |
【 分 子 式 】C23H34FN3O3 【 分 子 量 】419.5397832 【元素组成】C 65.85% H 8.17% F 4.53% N 10.02% O 11.44% |
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)FG5803 is obtained in a three-step synthesis: In the first step 4-(4-fluorophenyl)-4,4-ethylenedioxybutylchloride (A) reacts with piperazine (B) to give 1-[4-(4-fluorophenyl)-4,4-ethylenedioxybutyl]piperazine (I), which is reacted with cyclohexylisocyanate (C) to form 4-[4-(4-fluorophenyl)-4,4-ethylenedioxybutyl]-N-cyclohexyl-1-piperazinecarboxamide (II). The protecting group is removed by HCl in ethanol and the final product is isolated, 4-[4-(4-fluorophenyl)-4-oxobutyl]-N-cyclohexyl-1-piperazinecarboxamide hydrochloride (III).
| 【1】 Bjork, A.; Fex, T.; Olsson, K.; Abramo, A.; Gustafsson, B.; Christensson, E. (Ferrosan AB); Novel 1-piperazinecarboxamide derivs.. EP 0136274; ES 8704917; ES 8705411; ES 8802039; JP 1985501956; US 4935419; WO 8500811 . |
| 【2】 Lundstedt, T.; Bjork, A.; Pettersson, G.; Svartengren, J.; Christensson, E.; Gustavsson, B.; FG5803. Drugs Fut 1990, 15, 12, 1176. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 10355 | Diethylenediamine; Piperazine | 110-85-0 | C4H10N2 | 详情 | 详情 |
| (A) | 28203 | 2-(3-chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane | 3308-94-9 | C12H14ClFO2 | 详情 | 详情 |
| (I) | 31226 | 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperazine | C16H23FN2O2 | 详情 | 详情 | |
| (II) | 31227 | N-cyclohexyl-4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-piperazinecarboxamide | C23H34FN3O3 | 详情 | 详情 | |
| (C) | 18108 | 1-isocyanatocyclohexane; cyclohexyl isocyanate | 3173-53-3 | C7H11NO | 详情 | 详情 |
Extended Information