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【结 构 式】 
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【分子编号】32092 【品名】1-(4-pyridinyl)acetone 【CA登记号】 |
【 分 子 式 】C8H9NO 【 分 子 量 】135.1656 【元素组成】C 71.09% H 6.71% N 10.36% O 11.84% |
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)The condensation of ethyl acetate (I) with 4-picoline (II) by means of n-butyllithium in THF gives 1-(4-pyridyl)propanone (III), which by reaction with the dimethylacetal of dimethylformamide (IV) in refluxing HMPT is converted into 4-dimethylamino-3-(4-pyridyl)-3-buten-2-one (V). Finally, this compound is cyclized with cyanacetamide (VI) by means of sodium methoxide in refluxing DMF.
| 【1】 Lehser, G.Y.; Philion, R.E.; Page, D.F.; Opalka, C.J. (Sterling Winthrop Inc.); 5-(pyridinyl)-2(1H)-pyridinones, useful as cardiotonic agents and their preparation. DE 3044568; FR 2470124; GB 2065642; NL 8006399 . |
| 【2】 Serradell, M.N.; Castaner, J.; Blancafort, P.; WIN-47,203. Drugs Fut 1982, 7, 10, 757. |
| 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) | 17491 | ethyl acetate | 141-78-6 | C4H8O2 | 详情 | 详情 |
| (II) | 31150 | 4-methylpyridine | 108-89-4 | C6H7N | 详情 | 详情 |
| (III) | 32092 | 1-(4-pyridinyl)acetone | C8H9NO | 详情 | 详情 | |
| (IV) | 11984 | N-(Dimethoxymethyl)-N,N-dimethylamine;dimethylformamide dimethylacetal;1,1-dimethoxy-N,N-dimethylmethanamine； Dimethoxy-N,N-dimethylmethanamine; N,N-Dimethylformamide dimethyl acetal | 4637-24-5 | C5H13NO2 | 详情 | 详情 |
| (V) | 32093 | (E)-4-(dimethylamino)-3-(4-pyridinyl)-3-buten-2-one | C11H14N2O | 详情 | 详情 | |
| (VI) | 12122 | Cyanoacetamide; 2-Cyanoacetamide | 107-91-5 | C3H4N2O | 详情 | 详情 |
Extended Information