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【结 构 式】 
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【分子编号】54824 【品名】ethyl 1-(2-cyanophenyl)-4-piperidinecarboxylate 【CA登记号】 |
【 分 子 式 】C15H18N2O2 【 分 子 量 】258.3202 【元素组成】C 69.74% H 7.02% N 10.84% O 12.39% |
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)The condensation between 2-fluorobenzonitrile (I) and ethyl isonipecotate (II) produced the piperidino benzonitrile (III). Reduction of nitrile and ester functions of (III) to afford the intermediate amino alcohol (IV) was accomplished using either LiAlH4 or, in a more practical, scalable procedure, using NaBH4/ZnCl2.
| 【1】 Fujino, K.; et al.; Development of a practical synthetic route of a PDE V inhibitor KF31327. Org Process Res Dev 2001, 5, 4, 426. |
| 【2】 Fujino, K.; et al.; Process development of a PDE V inhibitor KF31327. 219th ACS Natl Meet (March 26 2000, San Francisco) 2000, Abst ORGN 612. |
| 【3】 Onoda, Y.; Nomoto, Y.; Ohno, T.; Yamada, K.; Ichimura, M. (Kyowa Hakko Kogyo Co., Ltd.); Imidazoquinazoline derivs.. EP 0863144; WO 9808848 . |
| 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) | 41199 | 2-fluorobenzonitrile | 394-47-8 | C7H4FN | 详情 | 详情 |
| (II) | 17410 | Ethyl isonipecotate; ethyl 4-piperidinecarboxylate | 1126-09-6 | C8H15NO2 | 详情 | 详情 |
| (III) | 54824 | ethyl 1-(2-cyanophenyl)-4-piperidinecarboxylate | C15H18N2O2 | 详情 | 详情 | |
| (IV) | 54825 | {1-[2-(aminomethyl)phenyl]-4-piperidinyl}methanol | C13H20N2O | 详情 | 详情 |
Extended Information