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【结 构 式】 
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【分子编号】31935 【品名】(Z)-3-anilino-2-(4-bromo-3,5-dimethoxybenzyl)-2-propenenitrile 【CA登记号】 |
【 分 子 式 】C18H17BrN2O2 【 分 子 量 】373.24926 【元素组成】C 57.92% H 4.59% Br 21.41% N 7.51% O 8.57% |
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：(XII)The reaction of (V) with 3-morpholinopropionitrile (X) by means of sodium methoxide in methanol - DMSO gives 4-bromo-3,5-dimethoxy-alpha-(morpholinomethyliden)hydrocinnamic acid nitrile (XI), which by reaction with aniline (B) and HCl in refluxing isopropanol is converted into 4-bromo-3,5-dimethoxy-alpha-(anilinomethyliden)hydrocinnamic acid nitrile (XII). Finally, this compound is condensed with guanidine (A) as before.
| 【1】 Sweetman, A.J.; Serradell, M.N.; Castaner, J.; Blancafort, P.; Brodimoprim. Drugs Fut 1982, 7, 2, 93. |
| 【2】 Kompis, I.; Wick, A.; Synthesis of 4-halo-substituted analogs of trimethropin. Helv Chim Acta 1977, 60, 8, 3025-34. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 12294 | Aniline; Phenylamine | 62-53-3 | C6H7N | 详情 | 详情 |
| (A) | 14790 | Guanidine | 113-00-8 | CH5N3 | 详情 | 详情 |
| (V) | 31928 | 4-Bromo-3,5-dimethoxybenzaldehyde | C9H9BrO3 | 详情 | 详情 | |
| (X) | 31933 | 3-Morpholinopropionitrile; 3-(4-Morpholinyl)propanenitrile | 4542-47-6 | C7H12N2O | 详情 | 详情 |
| (XI) | 31934 | (Z)-2-(4-bromo-3,5-dimethoxybenzyl)-3-(4-morpholinyl)-2-propenenitrile | C16H19BrN2O3 | 详情 | 详情 | |
| (XII) | 31935 | (Z)-3-anilino-2-(4-bromo-3,5-dimethoxybenzyl)-2-propenenitrile | C18H17BrN2O2 | 详情 | 详情 |
Extended Information