2-(4-methoxyphenyl)-5-methylamino-2H-1,2,3-triazole-4-thiocarboxamide | 1211971-15-1

• 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-methylamino-2H-1,2,3-triazole-4-thiocarboxamide
• 英文别名: 2-(4-methoxyphenyl)-5-(methylamino)triazole-4-carbothioamide
• CAS: 1211971-15-1
• 化学式: C₁₁H₁₃N₅OS
• 分子量: 263.323
• InChiKey: PPULWFSCBQOKJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenyl)-5-methylamino-2H-1,2,3-triazole-4-thiocarboxamide 、 2'-溴-4-氯苯乙酮 以 乙醇 为溶剂， 以77%的产率得到{5-[4-(4-chlorophenyl)thiazol-2-yl]-2-(4-methoxyphenyl)-2H-1,2,3-triazol-4-yl}methylamine
  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)-4-cyano-5-methylamino-2H-[1,2,3]-triazole 在 吡啶 、 硫化氢 、 三乙胺 作用下， 以96%的产率得到2-(4-methoxyphenyl)-5-methylamino-2H-1,2,3-triazole-4-thiocarboxamide
  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