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【结 构 式】 
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【分子编号】58234 【品名】diethyl 2-{[3-bromo(cyclopropyl)-2-methylanilino]methylene}malonate 【CA登记号】 |
【 分 子 式 】C18H22BrNO4 【 分 子 量 】396.28102 【元素组成】C 54.56% H 5.6% Br 20.16% N 3.53% O 16.15% |
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)Palladium-catalyzed displacement of 2,6-dibromotoluene (I) with cyclopropylamine (II) affords N-cyclopropyl-3-bromo-2-methylaniline (III). Subsequent condensation of aniline (III) with diethyl ethoxymethylenemalonate (IV) produces the enaminomalonate (V), which is further cyclized to the quinolinecarboxylate (VI) in hot PPA.
| 【1】 Hayashi, K.; Yamakawa, T.; Kawafuchi, H.; Kito, T.; Mitsuyama, J.; Kuroda, H. (Toyama Chemical Co., Ltd.); Quinolonecarboxylic acid derivs. or salts thereof. EP 1070713; WO 9951588 . |
| 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) | 58232 | 1,3-dibromo-2-methylbenzene; 2,6-Dibromotoluene | 69321-60-4 | C7H6Br2 | 详情 | 详情 |
| (II) | 12263 | Cyclopropylamine; Cyclopropanamine | 765-30-0 | C3H7N | 详情 | 详情 |
| (III) | 58233 | 3-bromo-N-cyclopropyl-2-methylaniline; N-(3-bromo-2-methylphenyl)-N-cyclopropylamine | C10H12BrN | 详情 | 详情 | |
| (IV) | 14088 | Diethyl ethoxymethylenemalonate; Diethyl 2-(ethoxymethylene)malonate | 87-13-8 | C10H16O5 | 详情 | 详情 |
| (V) | 58234 | diethyl 2-{[3-bromo(cyclopropyl)-2-methylanilino]methylene}malonate | C18H22BrNO4 | 详情 | 详情 | |
| (VI) | 58235 | ethyl 7-bromo-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate | C16H16BrNO3 | 详情 | 详情 |
Extended Information