1-methyl-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidine-2(1H)-one | 1225049-06-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methyl-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidine-2(1H)-one
• CAS: 1225049-06-8
• 化学式: C₂₀H₁₈N₂O₂
• 分子量: 318.375
• InChiKey: IFFNVZDXMZPPMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  51.96
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-(4-methylbenzoyl)-5-(4-methylphenyl)-2,3-furandione 、 N-甲基脲 以 苯 为溶剂， 反应 5.0h， 以60%的产率得到1-methyl-5-(4-methylbenzoyl)-4-(4-methylphenyl)pyrimidine-2(1H)-one
  参考文献：
  名称：

  Synthesis And Characterization Of Novel Pyrimidine Derivatives From 2,3-Furandiones

  摘要：

  Various novel pyrimidine-2(1H)-one and pyrimidine-2(1H)-thione derivatives 3a-m have been synthesized efficiently in good yields by the treatment of 4-p-methylbenzoyl-5-p-methylphenyl-2,3-furandione (1a) and 4-(3,4-dimethoxybenzoyl)-5-(3,4-dimethoxyphenyl)-2,3-furandione (1b) with some ureas and thioureas 2. Structures of these compounds 3 were established on the basis of elemental analysis, IR, H-1- and C-13-NMR spectral studies.

  DOI：

  10.1515/hc.2009.15.5.377