(E)-2-((pyridin-2-ylmethylene)amino)benzenethiol | 880872-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: (E)-2-((pyridin-2-ylmethylene)amino)benzenethiol
• 英文别名: 2-[(pyridin-2-yl)methyleneamino]benzenethiol
• CAS: 880872-52-6
• 化学式: C₁₂H₁₀N₂S
• 分子量: 214.291
• InChiKey: IBJVFMVBIYRASD-NTEUORMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.25
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-2-((pyridin-2-ylmethylene)amino)benzenethiol 在 sodium acetate 作用下， 以 甲醇 为溶剂， 以82%的产率得到2-(2-吡啶)苯并噻唑
  参考文献：
  名称：

  Electrooxidative Cyclization of Benzylideneaminothiophenols to the Corresponding 2-Arylbenzothiazoles

  摘要：

  Several benzylideneaminothiophenols were electrochemically oxidized in methanol containing sodium acetate as the supporting electrolyte, to afford the corresponding 2-arylbenzothiazols. The reaction proceeded via intramolecular cyclization involving the formation of a new bond between the benzylic carbon of the substrate and the sulfur of the thiol group. Based on the yields, room temperature and the use of two equivalents of sodium acetate relative to the substrate as the supporting electrolyte were found to be the optimal reaction conditions. The electrooxidation presumably involves a two-electron oxidation process.

  DOI：

  10.3987/com-07-11195
• 作为产物：
  描述：

  吡啶-2-甲醛 、 2-氨基苯硫醇 以 乙醇 为溶剂， 生成 (E)-2-((pyridin-2-ylmethylene)amino)benzenethiol
  参考文献：
  名称：

  Electrooxidative Cyclization of Benzylideneaminothiophenols to the Corresponding 2-Arylbenzothiazoles

  摘要：

  Several benzylideneaminothiophenols were electrochemically oxidized in methanol containing sodium acetate as the supporting electrolyte, to afford the corresponding 2-arylbenzothiazols. The reaction proceeded via intramolecular cyclization involving the formation of a new bond between the benzylic carbon of the substrate and the sulfur of the thiol group. Based on the yields, room temperature and the use of two equivalents of sodium acetate relative to the substrate as the supporting electrolyte were found to be the optimal reaction conditions. The electrooxidation presumably involves a two-electron oxidation process.

  DOI：

  10.3987/com-07-11195