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【结 构 式】 
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【分子编号】30568 【品名】6-isopropyl-4-oxo-4H-chromene-3-carbonitrile 【CA登记号】 |
【 分 子 式 】C13H11NO2 【 分 子 量 】213.23588 【元素组成】C 73.23% H 5.2% N 6.57% O 15.01% |
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：(I)The reaction of 6-isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile (I) with morpholine (A) and DMF in hot water gives 2-amino-6-isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde (II), which is cyclized with ethyl cyanoacetate (III) by means of piperidine (B) in refluxing ethanol yielding ethyl 2-amino-7-isopropyl-1-azaxanthone-3-carboxylate (IV). Finally, this compound is saponified by a treatment with sulfuric acid in refluxing acetic acid water.
| 【1】 Nohara, A.; Sugihara, H.; Ukawa, K. (Takeda Chemical Industries, Ltd.); 1-Azaxanthone-3-carboxylic acid. BE 0864647; DE 2809720; FR 2383185; GB 1597024; GB 1597025; JP 78111096; JP 78111097; JP 7988298; US 4143042; US 4255576; US 4299963 . |
| 【2】 Serradell, M.N.; Castaner, J.; AA-673. Drugs Fut 1984, 9, 5, 311. |
| 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) | 10158 | Piperidine | 110-89-4 | C5H11N | 详情 | 详情 |
| (A) | 10388 | Morpholine | 110-91-8 | C4H9NO | 详情 | 详情 |
| (I) | 30568 | 6-isopropyl-4-oxo-4H-chromene-3-carbonitrile | C13H11NO2 | 详情 | 详情 | |
| (II) | 30569 | 2-amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde | C13H13NO3 | 详情 | 详情 | |
| (III) | 11877 | Cyanoacetic acid ethyl ester; Ethyl 2-cyanoacetate; Ethyl cyanoacetate; Ethyl isocyanacetate | 105-56-6 | C5H7NO2 | 详情 | 详情 |
| (IV) | 30570 | ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate | C18H18N2O4 | 详情 | 详情 |
Extended Information