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【结 构 式】 
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【分子编号】13179 【品名】2-[3-(Bromomethyl)-5-(1,1-dimethyl-2-nitriloethyl)phenyl]-2-methylpropanenitrile 【CA登记号】 |
【 分 子 式 】C15H17BrN2 【 分 子 量 】305.21746 【元素组成】C 59.03% H 5.61% Br 26.18% N 9.18% |
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)The reaction of alpha,alpha'-dibromomesitylene (I) with potassium cyanide by means of tetrabutylammonium bromide (TBABr) in refluxing dichloromethane water gives 2,2'-(5-methyl-1,3-phenylene)bis(acetonitrile) (II), which is methylated with methyl iodide and NaH in DMF to yield 2,2'-(5-methyl-1,3-phenylene)bis(2-methylpropionitrile) (III). The bromination of (III) with N-bromosuccinimide (NBS) and benzoyl peroxide in CCl4 affords the bromomethyl compound (IV), which is finally condensed with sodium 1,2,4-triazole (V) in DMF.
| 【1】 Mealy, N.; Prous, J.; Castaner, J.; ZD-1033. Drugs Fut 1995, 20, 1, 30. |
| 【2】 Edwards, P.N.; Large, M.W. (AstraZeneca plc); (Substd. aralkyl)heterocyclic cpds. AU 8816911; EP 0296749; JP 1989019067; US 4935437 . |
| 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) | 13176 | 1,3-Bis(bromomethyl)-5-methylbenzene | 19294-04-3 | C9H10Br2 | 详情 | 详情 |
| (II) | 13177 | 2-[3-Methyl-5-(2-nitriloethyl)phenyl]acetonitrile | C11H10N2 | 详情 | 详情 | |
| (III) | 13178 | 2-[3-(1,1-Dimethyl-2-nitriloethyl)-5-methylphenyl]-2-methylpropanenitrile | C15H18N2 | 详情 | 详情 | |
| (IV) | 13179 | 2-[3-(Bromomethyl)-5-(1,1-dimethyl-2-nitriloethyl)phenyl]-2-methylpropanenitrile | C15H17BrN2 | 详情 | 详情 | |
| (V) | 13104 | 1,2,4-Triazole, sodium derivative | 41253-21-8 | C2H2N3Na | 详情 | 详情 |
Extended Information