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【结 构 式】 
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【分子编号】14210 【品名】3-(4-Fluorophenyl)-3-oxopropanenitrile 【CA登记号】 |
【 分 子 式 】C9H6FNO 【 分 子 量 】163.1511832 【元素组成】C 66.26% H 3.71% F 11.64% N 8.59% O 9.81% |
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)The condensation of cyclooctanone (I) with 4-fluorobenzoylacetonitrile (II) by heating with polyphosphoric acid at 120 C gives 4-fluorophenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2(1H)-one (III), which is converted to the corresponding 2-chloro derivative (IV) by treatment with refluxing phosphoryl chloride. The reaction of (IV) with 1-ethylpiperazine (V) at 170 C affords AD-5423.
| 【1】 Hino, K.; Kai, N.; Sakamoto, M.; Kon, T.; Oka, M.; Furakawa, K.; Ochi, Y. (Dainippon Pharmaceutical Co., Ltd.); 2-(1-Piperazinyl)-4-phenylcycloalkanopyridine derivs., processes for the production thereof, and pharmaceutical compsn. containing the same. EP 0385237; JP 1991007257; JP 1994041079; US 5021421 . |
| 【2】 Oka, M.; Hino, K.; AD-5423. Drugs Fut 1992, 17, 1, 9. |
| 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) | 14209 | Cyclooctanone | 502-49-8 | C8H14O | 详情 | 详情 |
| (II) | 14210 | 3-(4-Fluorophenyl)-3-oxopropanenitrile | C9H6FNO | 详情 | 详情 | |
| (III) | 14211 | 4-(4-Fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2(1H)-one | C17H18FNO | 详情 | 详情 | |
| (IV) | 14212 | 2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine | C17H17ClFN | 详情 | 详情 | |
| (V) | 14213 | N-Ethylpiperazine; 1-Ethylpiperazine | 5308-25-8 | C6H14N2 | 详情 | 详情 |
Extended Information