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【结 构 式】 
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【分子编号】55363 【品名】2,4-bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile 【CA登记号】 |
【 分 子 式 】C7H7N3OS2 【 分 子 量 】213.2842 【元素组成】C 39.42% H 3.31% N 19.7% O 7.5% S 30.07% |
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：(V)The condensation of ethyl 2-cyano-3,3-dimethylthioacrylate (I) with S-methylisothiourea (II) in refluxing ethanol yielded pyrimidinone (V). Alternatively, the intermediate pyrimidinone (V) was obtained by condensation of 2-cyano-3,3-dimethylthioacrylamide (III) with anhydride (IV). Subsequent chlorination of (V) with refluxing phosphoryl chloride provided the title chloropyrimidine.
| 【1】 Upadyay, D.N.; Ram, V.J.; Shukla, P.K.; Raghywanshi, s.K.; Agarwal, N.; Suitably functionalised pyrimidines as potential antimycotic agents. Bioorg Med Chem Lett 2000, 10, 8, 703. |
| 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) | 22737 | methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate | C7H9NO2S2 | 详情 | 详情 | |
| (II) | 10278 | 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl chloride | 6780-38-7 | C10H6ClNO3 | 详情 | 详情 |
| (III) | 55361 | 2-cyano-3,3-bis(methylsulfanyl)acrylamide | C6H8N2OS2 | 详情 | 详情 | |
| (IV) | 55362 | C4H6O3S2 | 详情 | 详情 | ||
| (V) | 55363 | 2,4-bis(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile | C7H7N3OS2 | 详情 | 详情 |
Extended Information