1,3-bis(4-carboxy-2,6-dimethylphenyl)-1H-imidazolium chloride | 1416440-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis(4-carboxy-2,6-dimethylphenyl)-1H-imidazolium chloride
• 英文别名: 4-[3-(4-Carboxy-2,6-dimethylphenyl)imidazol-3-ium-1-yl]-3,5-dimethylbenzoic acid;chloride；4-[3-(4-carboxy-2,6-dimethylphenyl)imidazol-3-ium-1-yl]-3,5-dimethylbenzoic acid;chloride
• CAS: 1416440-82-8
• 化学式: C₂₁H₂₁N₂O₄*Cl
• 分子量: 400.862
• InChiKey: LKAJRMAAMHMBJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 草酸醛 、 4-氨基-3,5-二甲基苯氰 在 盐酸 、 水 作用下， 生成 1,3-bis(4-carboxy-2,6-dimethylphenyl)-1H-imidazolium chloride
  参考文献：
  名称：

  Selective Adsorption Properties of Cationic Metal–Organic Frameworks Based on Imidazolic Linker

  摘要：

  In this work we propose an approach for the controlled synthesis of cationic frameworks by the use of imidazolium salts as linker molecules. The imidazolium salt linker H(2)ImidCl was prepared in five steps and converted with zinc and copper nitrate, respectively, to give the two topologically different cationic frameworks [Cu(Imid)(H2O)](+) and [Zn-4(Imid)(5)](3+). The framework charge is compensated by anions located in the pores. [Cu(Imid)(H2O)](+) shows a selective adsorption of organic molecules either bearing a carboxylic group or having an ionic nature. Furthermore, adsorbed molecules featuring a carboxylic group are captured inside the pores, whereas ionic substances can be reversibly adsorbed and desorbed, which was followed by UV/vis spectroscopy.

  DOI：

  10.1021/cg301347t