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【结 构 式】 
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【分子编号】28561 【品名】2-[4-(4-chlorophenyl)-1-piperazinyl]-1-ethanamine 【CA登记号】 |
【 分 子 式 】C12H18ClN3 【 分 子 量 】239.74784 【元素组成】C 60.12% H 7.57% Cl 14.79% N 17.53% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(III)Treatment of 3-methoxybenzoic acid (I) with methyl chloroformate and triethylamine produced the mixed anhydride (II), which was condensed with amine (III) to provide the title amide.
| 【1】 Perrone, R.; Berardi, F.; Colabufo, N.A.; Leopoldo, M.; Tortorella, V.; N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide: A potent and selective dopamine D4 ligand. J Med Chem 1998, 41, 24, 4903. |
合成路线2
该中间体在本合成路线中的序号：(IV)The condensation of 1-(4-chlorophenyl)piperazine (I) with 2-chloroacetonitrile (II) gives 2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile (III), which is reduced with borane/dimethylsulfide yielding the corresponding primary amine (IV). Finally, (IV) is condensed with 3-methoxybenzoyl chloride.
| 【1】 Berardi, F.; Perrone, R.; Tortorella, V.; Leopoldo, M.; Colabufo, N.A.; A structure-affinity relationship study on derivatives of N-[2-[4-(chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D4 receptor ligand. J Med Chem 2000, 43, 2, 270. |
| 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) | 33593 | 1-(4-chlorophenyl)piperazine | 38869-46-4 | C10H13ClN2 | 详情 | 详情 |
| (II) | 14443 | 2-chloroacetonitrile; chloroacetonitrile | 107-14-2 | C2H2ClN | 详情 | 详情 |
| (III) | 36530 | 2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile | C12H14ClN3 | 详情 | 详情 | |
| (IV) | 28561 | 2-[4-(4-chlorophenyl)-1-piperazinyl]-1-ethanamine | C12H18ClN3 | 详情 | 详情 | |
| (V) | 16760 | 3-methoxybenzoyl chloride | 1711-05-3 | C8H7ClO2 | 详情 | 详情 |
Extended Information