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【结 构 式】 
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【分子编号】51392 【品名】N-(cyclopropylmethyl)-N-[6-(2,6-dichloro-4-iodoanilino)-2-methyl-4-pyrimidinyl]-N-propylamine; N(4)-(cyclopropylmethyl)-N(6)-(2,6-dichloro-4-iodophenyl)-2-methyl-N(4)-propyl-4,6-pyrimidinediamine 【CA登记号】 |
【 分 子 式 】C18H21Cl2IN4 【 分 子 量 】491.20157 【元素组成】C 44.01% H 4.31% Cl 14.44% I 25.84% N 11.41% |
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)Condensation between 4,6-dichloro-2-methylpyrimidine (I) and 2,6-dichloro-4-iodoaniline (II) in the presence of NaH in THF furnished the diaryl amine (III). The remaining chlorine atom was displaced with N-(cyclopropylmethyl)propylamine (IV) in hot DMSO to yield (V). Finally, chlorination of the pyrimidine ring with N-chlorosuccinimide (NCS) afforded the target 4-iodo derivative.
| 【1】 Hsin, L.-W.; Webster, E.L.; Tian, X.; et al.; The development of a potential single photon emission computed tomography (SPECT) imaging agent for the corticotropin-releasing hormone receptor type 1. Bioorg Med Chem Lett 2001, 11, 3, 331. |
| 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) | 32323 | 4,6-dichloro-2-methylpyrimidine | 1780-26-3 | C5H4Cl2N2 | 详情 | 详情 |
| (II) | 51390 | 2,6-dichloro-4-iodophenylamine; 2,6-dichloro-4-iodoaniline | C6H4Cl2IN | 详情 | 详情 | |
| (III) | 51391 | N-(6-chloro-2-methyl-4-pyrimidinyl)-N-(2,6-dichloro-4-iodophenyl)amine; 6-chloro-N-(2,6-dichloro-4-iodophenyl)-2-methyl-4-pyrimidinamine | C11H7Cl3IN3 | 详情 | 详情 | |
| (IV) | 27745 | N-(cyclopropylmethyl)-1-propanamine | 26389-60-6 | C7H15N | 详情 | 详情 |
| (V) | 51392 | N-(cyclopropylmethyl)-N-[6-(2,6-dichloro-4-iodoanilino)-2-methyl-4-pyrimidinyl]-N-propylamine; N(4)-(cyclopropylmethyl)-N(6)-(2,6-dichloro-4-iodophenyl)-2-methyl-N(4)-propyl-4,6-pyrimidinediamine | C18H21Cl2IN4 | 详情 | 详情 |
Extended Information