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【结 构 式】 
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【分子编号】30333 【品名】1-nitroacetone 【CA登记号】 |
【 分 子 式 】C3H5NO3 【 分 子 量 】103.07764 【元素组成】C 34.96% H 4.89% N 13.59% O 46.57% |
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：(III)This compound can be obtained by two different ways: 1) By cyclization of 2-trifluoromethylbenzaldehyde (I) with methyl 3-amino crotonate (II) and nitropropanone (III) in refluxing ethanol. 2) By cyclization of methyl 2-(2-trifluoromethylbenzylidene)acetoacetate (IV) with 2-amino-1-nitropropene (V) in refluxing ethanol.
| 【1】 Bossert, F.; Franckowiak, G.; Heise, A.; Kazda, S.; Meyer, H.; Stoepel, K.; Towart, R.; Wehinger, E. (Bayer AG); Nitro-substituted 1,4-dihydropyridines, processes for their production and their medicinal use. DE 2752820; EP 0002208; ES 475379; ES 480350; ES 480351; JP 54081279 . |
| 【2】 Bossert, F.; Franckowiak, G.; Boeshagen, H.; Goldmann, S.; Schramm, M.; Thomas, G.; Meyer, H.; Towart, R.; Wehinger, E. (Bayer AG); Dihydropyridines having a positive inotropic effect, novel compounds, their use in medicaments, and processes for their preparation. BE 0893984; DE 3130041; ZA 8205456 . |
| 【3】 Castaner, J.; Serradell, M.N.; BAY-K-8644. Drugs Fut 1984, 9, 3, 168. |
| 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) | 30332 | 2-(trifluoromethyl)benzaldehyde | 447-61-0 | C8H5F3O | 详情 | 详情 |
| (II) | 11372 | Methyl (E)-3-amino-2-butenoate; Methyl 3-aminocrotonate | C5H9NO2 | 详情 | 详情 | |
| (III) | 30333 | 1-nitroacetone | C3H5NO3 | 详情 | 详情 | |
| (IV) | 30334 | methyl (Z)-2-acetyl-3-[2-(trifluoromethyl)phenyl]-2-propenoate | C13H11F3O3 | 详情 | 详情 | |
| (V) | 30335 | (E)-1-methyl-2-nitroethenylamine; (E)-1-nitro-1-propen-2-amine | C3H6N2O2 | 详情 | 详情 |
Extended Information