3,5-diamino-4-chloro-2-(2-hydroxy-4-nitrophenylazo)benzoic acid | 1426244-76-9

• 分子结构分类: 有机化合物
• 英文名称: 3,5-diamino-4-chloro-2-(2-hydroxy-4-nitrophenylazo)benzoic acid
• 英文别名: 3,5-diamino-4-chloro-2-[(2-hydroxy-4-nitrophenyl)diazenyl]benzoic acid
• CAS: 1426244-76-9
• 化学式: C₁₃H₁₀ClN₅O₅
• 分子量: 351.706
• InChiKey: XXWVSIKCSQJXHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  180
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3,5-diamino-4-chloro-2-(2-hydroxy-4-nitrophenylazo)benzoic acid 在 copper(ll) sulfate pentahydrate 、 硫酸 、 氨 作用下， 以 1,4-二氧六环 、 水 、 异丙醇 为溶剂， 反应 38.0h， 生成 6-amino-7-chloro-2-(2-hydroxy-4-nitrophenyl)-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：

  4-氯-3,5-二氨基苯甲酸异丁酯 在 盐酸 、 水 、 sodium hydroxide 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 5.75h， 生成 3,5-diamino-4-chloro-2-(2-hydroxy-4-nitrophenylazo)benzoic 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