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【结 构 式】 
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【分子编号】56038 【品名】3-(chloromethyl)-5-(4-fluorophenyl)pyridine 【CA登记号】177976-33-9 |
【 分 子 式 】C12H9ClFN 【 分 子 量 】221.6613032 【元素组成】C 65.02% H 4.09% Cl 15.99% F 8.57% N 6.32% |
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：(IV)Addition of KCN to 3-(2-hydroxyphenyl)propanal (I) produced 2-cyanochromane (II), which was further reduced to the aminomethyl chromane rac-(III) by catalytic hydrogenation. Resolution of this racemic amine by recrystallization of the diastereomeric salts with N-tosyl-L-proline furnished the required (R)-enantiomer (III). Alkylation of amine (III) with 3-(chloromethyl)-5-(4-fluorophenyl)pyridine (IV) in the presence of N-methylmorpholine yielded the target secondary amine.
| 【1】 Bottcher, H.; Devant, R.; Greiner, H.; Bartoszyk, G.; Berthelon, J.-J.; Noblet, M.; Zeiller, J.-J.; Brunet, M. (Merck Patent GmbH); Amino(thio)ether derivs. as CNS active agents. CA 2160447; EP 0707007; EP 1123933; JP 1996225501; US 5767132 . |
| 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) | 56036 | 3-(2-hydroxyphenyl)propanal | 53580-62-4 | C9H10O2 | 详情 | 详情 |
| (II) | 56037 | 2-chromanecarbonitrile | C10H9NO | 详情 | 详情 | |
| (III) | 17042 | (2R)-3,4-dihydro-2H-chromen-2-ylmethanamine; (2R)-3,4-dihydro-2H-chromen-2-ylmethylamine | C10H13NO | 详情 | 详情 | |
| (IV) | 56038 | 3-(chloromethyl)-5-(4-fluorophenyl)pyridine | 177976-33-9 | C12H9ClFN | 详情 | 详情 |
Extended Information