azobenzene-4,4′-diacrylic acid | 855164-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: azobenzene-4,4′-diacrylic acid
• CAS: 855164-13-5
• 化学式: C₁₈H₁₄N₂O₄
• 分子量: 322.32
• InChiKey: PMAJAMJJNDOYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.32
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  azobenzene-4,4′-diacrylic acid 、 二环己胺 以 甲醇 为溶剂， 生成 dicyclohexylammonium azobenzene-4,4'-diacrylate
  参考文献：
  名称：

  Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates

  摘要：

  The supramolecular synthon namely secondary ammonium dicarboxylate (SAD) synthon has been exploited to design a new series of low molecular weight gelators (LMWGs) derived from azobenzene-4,4'-dicarboxylic acid and azobenzene-4,4'-diacrylic acid, and various secondary amines. Single crystal structures of six such salts exclusively established the presence of SAD synthon. Two such salts namely, dicyclohexylammonium azobenzene-4,4'-diacrylate (2.DCHA) and dihexylammonium azobenzene-4,4'-diacrylate (2.DHA) displayed intriguing gelation properties. Powder X-ray diffraction in combination with single crystal X-ray data established existence of SAD synthon in the structure of the gel network of 2.DCHA. UV-irradiation of the salts as well as the gel did not show any trans-cis isomerization of the azo-moiety.

  DOI：

  10.1021/cg301245c