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【结 构 式】 
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【分子编号】25778 【品名】3-(5-formyl-2,3-dimethoxyphenoxy)-1-propanesulfonate 【CA登记号】 |
【 分 子 式 】C12H15O7S 【 分 子 量 】303.3129 【元素组成】C 47.52% H 4.98% O 36.92% S 10.57% |
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：(VI)Aldol condensation of piperonal (I) with 4-methoxyacetophenone (II) afforded chalcone (III). Subsequent addition of KCN to (III) in the presence of AcOH gave nitrile (IV), which was hydrolyzed in methanol in the presence of p-TsOH to provide ketoester (V). Subsequent base-catalyzed condensation of (V) with aldehyde (VI), followed by cyclization in refluxing AcOH furnished the target butenolide.
| 【1】 Repine, J.T.; Patt, W.C.; Cheng, X.-M.; et al.; Butenolide endothelin antagonists with improved aqueous solubility. J Med Chem 1999, 42, 12, 2162. |
| 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) | 10127 | 1,3-Benzodioxole-5-carbaldehyde; Heliotropine | 120-57-0 | C8H6O3 | 详情 | 详情 |
| (II) | 11041 | 4-Methoxyacetophenone; 1-(4-Methoxyphenyl)-1-ethanone | 100-06-1 | C9H10O2 | 详情 | 详情 |
| (III) | 25775 | (E)-3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-2-propen-1-one | C17H14O4 | 详情 | 详情 | |
| (IV) | 25776 | 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanenitrile | C18H15NO4 | 详情 | 详情 | |
| (V) | 25777 | ethyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobutanoate | C20H20O6 | 详情 | 详情 | |
| (VI) | 25778 | 3-(5-formyl-2,3-dimethoxyphenoxy)-1-propanesulfonate | C12H15O7S | 详情 | 详情 |
Extended Information