2-cyclohexyl-4,5-dimethyl-6-(methylthio)pyrimidine | 1192739-74-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-cyclohexyl-4,5-dimethyl-6-(methylthio)pyrimidine
• 英文别名: 2-Cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine
• CAS: 1192739-74-4
• 化学式: C₁₃H₂₀N₂S
• 分子量: 236.381
• InChiKey: CQWBMXKFLHBKIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硫氰酸甲酯 、 N-but-2-en-2-ylcyclohexanecarboxamide 在 2-氯吡啶 、 三氟甲磺酸酐 作用下， 以 二氯甲烷 为溶剂， 以62%的产率得到2-cyclohexyl-4,5-dimethyl-6-(methylthio)pyrimidine
  参考文献：
  名称：

  Synthesis of Densely Substituted Pyrimidine Derivatives

  摘要：

  The direct condensation of cyanic acid derivatives with N-vinyl/aryl amides affords the corresponding C4-hetcroatom substituted pyrimidines. The use of cyanic bromide and thiocynatomethane in this chemistry provides versatile azaheterocycles poised for further derivatization. The synthesis of a variety of previously inaccessible C2- and C4-pyrimidine derivatives using this methodology is described.

  DOI：

  10.1021/jo9017149

文献信息

• Synthesis of Densely Substituted Pyrimidine Derivatives
  作者：Omar K. Ahmad、Matthew D. Hill、Mohammad Movassaghi

  DOI：10.1021/jo9017149

  日期：2009.11.6

  The direct condensation of cyanic acid derivatives with N-vinyl/aryl amides affords the corresponding C4-hetcroatom substituted pyrimidines. The use of cyanic bromide and thiocynatomethane in this chemistry provides versatile azaheterocycles poised for further derivatization. The synthesis of a variety of previously inaccessible C2- and C4-pyrimidine derivatives using this methodology is described.