N-[3(5)-phenyl-1,2,4-triazol-5(3)-yl]trichloroacetamidine | 1410904-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[3(5)-phenyl-1,2,4-triazol-5(3)-yl]trichloroacetamidine
• 英文别名: 2,2,2-trichloro-N'-(5-phenyl-1H-1,2,4-triazol-3-yl)ethanimidamide
• CAS: 1410904-63-0
• 化学式: C₁₀H₈Cl₃N₅
• 分子量: 304.566
• InChiKey: NWLHYFDAZRHANW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[3(5)-phenyl-1,2,4-triazol-5(3)-yl]trichloroacetamidine 、 原甲酸三乙酯 反应 8.0h， 以72%的产率得到2-phenyl-5-trichloromethyl-1,2,4-triazolo[1,5-a][1,3,5]triazine
  参考文献：
  名称：

  Synthesis of Novel Trichloromethyl Substituted Azolo[1,3,5]triazines

  摘要：

  The triazine ring bearing a trichloromethyl group was annelated to various aminoazoles using a new effective synthetic procedure. The method of preparation involved initial formation of trichloroacetamidines in the reaction of aminoazoles with trichloroacetonitrile followed by the triazine ring closure with triethyl orthoformate affording therefore the titled compounds.

  DOI：

  10.3987/com-12-12542
• 作为产物：
  描述：

  3-氨基-5-苯基-1,2,4-三唑 、 三氯乙腈 以 甲苯 为溶剂， 反应 12.0h， 以59%的产率得到N-[3(5)-phenyl-1,2,4-triazol-5(3)-yl]trichloroacetamidine
  参考文献：
  名称：

  Synthesis of Novel Trichloromethyl Substituted Azolo[1,3,5]triazines

  摘要：

  The triazine ring bearing a trichloromethyl group was annelated to various aminoazoles using a new effective synthetic procedure. The method of preparation involved initial formation of trichloroacetamidines in the reaction of aminoazoles with trichloroacetonitrile followed by the triazine ring closure with triethyl orthoformate affording therefore the titled compounds.

  DOI：

  10.3987/com-12-12542