3-methyl-6-(N-methyl-hydrazino)-2-methylsulfanyl-3H-pyrimidin-4-one | 7401-93-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-methyl-6-(N-methyl-hydrazino)-2-methylsulfanyl-3H-pyrimidin-4-one
• 英文别名: 6-[Amino(methyl)amino]-3-methyl-2-methylsulfanylpyrimidin-4-one
• CAS: 7401-93-6
• 化学式: C₇H₁₂N₄OS
• 分子量: 200.264
• InChiKey: OSOIGANFPZYUKE-UHFFFAOYSA-N

物化性质

• 沸点：
  323.4±52.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methyl-6-(N-methyl-hydrazino)-2-methylsulfanyl-3H-pyrimidin-4-one 在 PPA 、 Polyphosphoric acid (PPA) 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 2.5h， 生成 1,7-Dimethyl-8-methylsulfanyl-5,6-dioxo-4,5,6,7-tetrahydro-1H-pyrimido[4,5-c][1,2]diazepine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Yamasaki, Tetsuo; Nakamura, Hirofumi; Okamoto, Yoshinari, Journal of the Chemical Society. Perkin transactions I, 1992, # 11, p. 1287 - 1290

  摘要：

  DOI：

文献信息

• A New Approach to Fused 1,2-Diazepines by Cyclization of Enhydrazines with a- and b-Keto Esters
  作者：Tetsuo Yamasaki、Kaoru Nishida、Yoshinari Okamoto、Tadashi Okawara、Mitsuru Furukawa

  DOI：10.3987/com-97-s(n)19

  日期：——

  The cyclization of 6-(1,2-diethoxycarbonylethylidene)hydrazino-1,3-dimethyluracil (3) and 6-(1,2-diethoxycarbonylethylidene)hydrazino-3-methyl-2-methylthiopyrimidin-4(3H)-one (8) in the presence of polyphosphoric acid (PPA) provided 2,5-dihydropyrimido[4,5-c]-1,2-diazepine-5,6,8(1H,7H,9H)-trione (4) and 4,5-dihydropyrimido[4,5-c]-1,2-diazepine-5,6(1H,7H)-dione (9), respectively. 4-Hydrazino-5-methyl-2-pyrone (27) and 5,5-dimethyl-3-hydrazinnocyclohexen-1-one (31) readily reacted with ethyl benzoylacetate (28) to give 4,5-dihydropyrano[4,3-c]-1,2-diazepine-5 (30) and 3-phenyl-1,8,8-trimethyl-4,5,6,7,8,9-hexahydro-1,2-benzodiazepine-5,6(1H)-dione (33), respectively.