{[2-(4-methoxyphenyl)-5-piperidino-2H-1,2,3-triazol-4-yl]iminomethyl}methylsulfonium iodide | 1211971-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {[2-(4-methoxyphenyl)-5-piperidino-2H-1,2,3-triazol-4-yl]iminomethyl}methylsulfonium iodide
• CAS: 1211971-41-3
• 化学式: C₁₆H₂₂N₅OS*I
• 分子量: 459.354
• InChiKey: DHIFGPSQFDHZLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.96
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  67.03
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  {[2-(4-methoxyphenyl)-5-piperidino-2H-1,2,3-triazol-4-yl]iminomethyl}methylsulfonium iodide 、 2-氨基-2-氰基乙酸乙酯 以 氯仿 为溶剂， 以40%的产率得到5-amino-2-[2-(4-methoxyphenyl)-5-piperidino-2H-(1,2,3-triazol-4-yl)]-1H-imidazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and reactions of thioamides of 5-amino-2-aryl-2H-1,2,3-triazole-4-carboxylic acid

  摘要：

  A method has been developed for obtaining thioamides of 5-amino-2-aryl-2H-1,2,3-triazole-4-carboxylic acid. Their heterocyclization reactions with bifunctional reagents has been studied. New heterocyclic polycyclic ensembles have been synthesized containing a 1,2,3-triazole fragment, a thiazole, and a residue of the natural alkaloid cytisine.

  DOI：

  10.1007/s10593-009-0348-x
• 作为产物：
  描述：

  2-(4-methoxyphenyl)-5-piperidino-2H-1,2,3-triazole-4-thiocarboxamide 、 碘甲烷 以 丙酮 为溶剂， 反应 5.0h， 以75%的产率得到{[2-(4-methoxyphenyl)-5-piperidino-2H-1,2,3-triazol-4-yl]iminomethyl}methylsulfonium iodide
  参考文献：
  名称：

  Synthesis and reactions of thioamides of 5-amino-2-aryl-2H-1,2,3-triazole-4-carboxylic acid

  摘要：

  A method has been developed for obtaining thioamides of 5-amino-2-aryl-2H-1,2,3-triazole-4-carboxylic acid. Their heterocyclization reactions with bifunctional reagents has been studied. New heterocyclic polycyclic ensembles have been synthesized containing a 1,2,3-triazole fragment, a thiazole, and a residue of the natural alkaloid cytisine.

  DOI：

  10.1007/s10593-009-0348-x