【结 构 式】 |
【药物名称】 【化学名称】4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile 【CA登记号】 【 分 子 式 】C7H6ClN3S2 【 分 子 量 】231.72697 |
【开发单位】Central Drug Research Institute (Originator) 【药理作用】Antifungal Agents, ANTIINFECTIVE THERAPY |
合成路线1
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