6-methyl-4-phenyl-1-(p-tolyl)-2[1H]-pyrimidinethione | 656256-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-methyl-4-phenyl-1-(p-tolyl)-2[1H]-pyrimidinethione
• 英文别名: 6-Methyl-1-(4-methylphenyl)-4-phenylpyrimidine-2-thione；6-methyl-1-(4-methylphenyl)-4-phenylpyrimidine-2-thione
• CAS: 656256-11-0
• 化学式: C₁₈H₁₆N₂S
• 分子量: 292.404
• InChiKey: SQYSMXNDECGFLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-methyl-4-phenyl-1-(p-tolyl)-2[1H]-pyrimidinethione 在 硫酸二甲酯 、 哌啶 、 selenium 作用下， 以 乙醇 为溶剂， 反应 2.25h， 以62%的产率得到6-methyl-4-phenyl-1-(p-tolyl)-2[1H]-pyrimidineselenone
  参考文献：
  名称：

  Synthesis of 1,4,6-Trisubstituted 2[1H]-Pyrimidineselenones

  摘要：

  1,6-Diaryl-4-methyl-2[1H]-pyrimidineselenones and 1,4-diaryl-6methyl-2[1H]-pyrimidineselenones were synthesised by treatment of appropriate pyrimidinethiones with gaseous H2Se. 2D NMR spectroscopic studies were conducted to obtain conformations of the newly synthesised derivatives.

  DOI：

  10.3987/com-03-9865
• 作为产物：
  描述：

  对甲苯基脲 在 劳森试剂 、 盐酸 作用下， 以 乙醇 、 间二甲苯 为溶剂， 反应 1.5h， 生成 6-methyl-4-phenyl-1-(p-tolyl)-2[1H]-pyrimidinethione
  参考文献：
  名称：

  Synthesis of 1,4,6-Trisubstituted 2[1H]-Pyrimidineselenones

  摘要：

  1,6-Diaryl-4-methyl-2[1H]-pyrimidineselenones and 1,4-diaryl-6methyl-2[1H]-pyrimidineselenones were synthesised by treatment of appropriate pyrimidinethiones with gaseous H2Se. 2D NMR spectroscopic studies were conducted to obtain conformations of the newly synthesised derivatives.

  DOI：

  10.3987/com-03-9865

文献信息

• Synthesis of 1,4,6-Trisubstituted 2[1H]-Pyrimidineselenones
  作者：Alicja Zylewska、Waldemar Tejchman、Maria J. Korohoda、Marek Zylewski

  DOI：10.3987/com-03-9865

  日期：——

  1,6-Diaryl-4-methyl-2[1H]-pyrimidineselenones and 1,4-diaryl-6methyl-2[1H]-pyrimidineselenones were synthesised by treatment of appropriate pyrimidinethiones with gaseous H2Se. 2D NMR spectroscopic studies were conducted to obtain conformations of the newly synthesised derivatives.