6-amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2H-benzotriazole-4-carboxylic acid | 1426244-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2H-benzotriazole-4-carboxylic acid
• 英文别名: 6-Amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2 h-benzotriazole-4-carboxylic acid；6-amino-2-(5-amino-2-hydroxyphenyl)-7-chlorobenzotriazole-4-carboxylic acid
• CAS: 1426244-89-4
• 化学式: C₁₃H₁₀ClN₅O₃
• 分子量: 319.707
• InChiKey: IXBJHHAAIFOUIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 6-amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2H-benzotriazole-4-carboxylic acid 在 硫酸 、 氨 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 8.0h， 以46%的产率得到6-amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2H-benzotriazole-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and chemical transformations of 6-amino-7-chloro-2-(2-hydroxyphenyl)-2H-benzo-triazole-4-carboxylic acid derivatives

  摘要：

  6-Amino-7-chloro-2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid and its analogs containing chlorine and nitro groups in the phenyl fragment have been synthesized. The special features of reduction and acetylation reactions with the obtained compounds have been studied. Methods have been developed for further chemical conversions which enable a large number of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid derivatives to be obtained, with the aim of studying the dependence of their luminescence and complex-forming properties on various functional substituents.

  DOI：

  10.1007/s10593-013-1165-9
• 作为产物：
  描述：

  6-amino-7-chloro-2-(2-hydroxy-5-nitrophenyl)-2H-benzotriazole-4-carboxylic acid 在 sodium dithionite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.5h， 以37%的产率得到6-amino-2-(5-amino-2-hydroxyphenyl)-7-chloro-2H-benzotriazole-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and chemical transformations of 6-amino-7-chloro-2-(2-hydroxyphenyl)-2H-benzo-triazole-4-carboxylic acid derivatives

  摘要：

  6-Amino-7-chloro-2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid and its analogs containing chlorine and nitro groups in the phenyl fragment have been synthesized. The special features of reduction and acetylation reactions with the obtained compounds have been studied. Methods have been developed for further chemical conversions which enable a large number of 2-(2-hydroxyphenyl)-2H-benzotriazole-4-carboxylic acid derivatives to be obtained, with the aim of studying the dependence of their luminescence and complex-forming properties on various functional substituents.

  DOI：

  10.1007/s10593-013-1165-9