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【结 构 式】 
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【分子编号】28848 【品名】ethyl 2-(1,3-benzodioxol-4-ylmethyl)-3-oxobutanoate 【CA登记号】 |
【 分 子 式 】C14H16O5 【 分 子 量 】264.27804 【元素组成】C 63.63% H 6.1% O 30.27% |
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 cyclization of 2,3-dihydroxybenzaldehyde (I) with dibromomethane by means of KF in hot DMF gives 2,3-methylenedioxybenzaldehyde (II), which is condensed with ethyl acetoacetate (III) by means of piperidine and acetic acid in refluxing benzene to afford ethyl 2-acetyl-3-(2,3-methylenedioxyphenyl)acrylate (IV). Finally, this compound is cyclized with methyl 3-aminocrotonate (V) in hot isopropanol.
| 【1】 Galiano Ramos, J.A.; Verde Casanova, M.J. (IIDQB (Madrid); Laboratoires Delagrange); Calcium antagonists. BE 0902016; CH 663020; DE 3510762; EP 0158211; FR 2562069; GB 2156809; JP 1985248671; US 4722931 . |
| 【2】 Serradell, M.N.; Castaner, J.; Castaner, R.M.; Oxodipine. Drugs Fut 1987, 12, 7, 633. |
| 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) | 12380 | 2,3-Dihydroxybenzaldehyde | 24677-78-9 | C7H6O3 | 详情 | 详情 |
| (II) | 13329 | 2,3-(Methylenedioxy)benzaldehyde; 1,3-Benzodioxole-4-carbaldehyde | 7797-83-3 | C8H6O3 | 详情 | 详情 |
| (III) | 11819 | ethyl acetoacetate; ethyl 3-oxobutanoate；Acetoacetic ester;Ethyl beta-ketobutyrate;ethyl 3-oxobutyrate | 141-97-9 | C6H10O3 | 详情 | 详情 |
| (IV) | 28848 | ethyl 2-(1,3-benzodioxol-4-ylmethyl)-3-oxobutanoate | C14H16O5 | 详情 | 详情 | |
| (V) | 11372 | Methyl (E)-3-amino-2-butenoate; Methyl 3-aminocrotonate | C5H9NO2 | 详情 | 详情 |
Extended Information