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【结 构 式】

【分子编号】55361

【品名】2-cyano-3,3-bis(methylsulfanyl)acrylamide

【CA登记号】

【 分 子 式 】C6H8N2OS2

【 分 子 量 】188.2744

【元素组成】C 38.28% H 4.28% N 14.88% O 8.5% S 34.06%

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 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