1-(p-chlorophenyl)-4-methyl-6-phenyl-2[1H]-pyrimidinethione

• 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: 1-(p-chlorophenyl)-4-methyl-6-phenyl-2[1H]-pyrimidinethione
• 英文别名: 1-(4-Chlorophenyl)-4-methyl-6-phenylpyrimidine-2-thione
• 化学式: C₁₇H₁₃ClN₂S
• 分子量: 312.823
• InChiKey: OQSGWKNHEVKSCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 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：

  1-(p-chlorophenyl)-4-methyl-6-phenyl-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36.1%的产率得到1-(4-chlorophenyl)-4-methyl-6-phenylpyrimidine-2(1H)-selenone
  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：

  1-苯基-1,3-丁二酮 、 4-氯苯基硫脲 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以34.3%的产率得到1-(p-chlorophenyl)-4-methyl-6-phenyl-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.