4-methyl-3,5-bis(pyrimidin-2-ylthio)benzene-1,2-diol | 1235868-23-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-methyl-3,5-bis(pyrimidin-2-ylthio)benzene-1,2-diol
• CAS: 1235868-23-1
• 化学式: C₁₅H₁₂N₄O₂S₂
• 分子量: 344.418
• InChiKey: VRMZDJPYEIFZOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.02
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  3,4-二羟基甲苯 、 2-巯基嘧啶 以76%的产率得到4-methyl-3,5-bis(pyrimidin-2-ylthio)benzene-1,2-diol
  参考文献：
  名称：

  Electrochemical Oxidation of Catechols in the Presence of Pyrimidine-2-thiol: Application to Electrosynthesis

  摘要：

  The electrooxidation of catechols (1a-d) in the presence of pyrimidine-2-thiol (3) as a nucleophile in aqueous solution is described. The mechanistic investigations using cyclic voltammetry and controlled potential coulometry indicate that the quinone derived from catechols participates in a Michael addition reaction with pyrimidine-2-thiol to form corresponding catechol derivatives of 6a-d (ECEC). The efficient electrosynthesis of 6a-d has been performed at carbon rod electrodes in an undivided cell in good yield and purity.

  DOI：

  10.1080/10426500802591614