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【结 构 式】 
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【分子编号】51474 【品名】N-methoxy-N-methyl-2-phenyl-1H-imidazole-4-carboxamide 【CA登记号】 |
【 分 子 式 】C12H13N3O2 【 分 子 量 】231.25424 【元素组成】C 62.33% H 5.67% N 18.17% O 13.84% |
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 hydrolysis of 2-phenyl-4-(trifluoromethyl)-1H-imidazole (I) with 1N NaOH gives 2-phenyl-1H-imidazole-4-carboxylic acid (II), which is condensed with N,O-dimethylhydroxylamine (III) by means of TBTU and DIEA in dichloromethane to yield the amide (IV). The reduction of (IV) with DIBAL in THF affords 2-phenyl-1H-imidazole-4-carbaldehyde (V), which is finally condensed with N-tert-butylhydroxylamine (VI) by means of NaHCO3 in hot ethanol to provide the target nitrone.
| 【1】 Dhainaut, A.; et al.; Synthesis, structure, and neuroprotective properties of novel imidazolyl nitrones. J Med Chem 2000, 43, 11, 2165. |
| 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) | 35452 | 2-phenyl-4-(trifluoromethyl)-1H-imidazole | C10H7F3N2 | 详情 | 详情 | |
| (II) | 51473 | 2-phenyl-1H-imidazole-4-carboxylic acid | C10H8N2O2 | 详情 | 详情 | |
| (III) | 13361 | (Methoxyamino)methane; N,O-Dimethylhydroxylamine | 1117-97-1 | C2H7NO | 详情 | 详情 |
| (IV) | 51474 | N-methoxy-N-methyl-2-phenyl-1H-imidazole-4-carboxamide | C12H13N3O2 | 详情 | 详情 | |
| (V) | 35454 | 2-phenyl-1H-imidazole-4-carbaldehyde | C10H8N2O | 详情 | 详情 | |
| (VI) | 35455 | N-(tert-butyl)hydroxylamine; 2-(hydroxyamino)-2-methylpropane | C4H11NO | 详情 | 详情 |
Extended Information