3,5-Bis-(10-decylcarbamoyl-decyloxy)-benzoic acid | 545389-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-Bis-(10-decylcarbamoyl-decyloxy)-benzoic acid
• 英文别名: 3,5-Bis{[11-(decylamino)-11-oxoundecyl]oxy}benzoic acid；3,5-bis[11-(decylamino)-11-oxoundecoxy]benzoic acid
• CAS: 545389-64-8
• 化学式: C₄₉H₈₈N₂O₆
• 分子量: 801.248
• InChiKey: OWMVSFWCRROBNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  57
• 可旋转键数：
  43
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-二羟基苯甲酸甲酯 在 lithium hydroxide 、 phase transfer catalyst 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 3,5-Bis-(10-decylcarbamoyl-decyloxy)-benzoic acid
  参考文献：
  名称：

  New bisamides gelators: relationship between chemical structure and fiber morphology

  摘要：

  Different dialkoxybenzoic acid derivatives with identical alkyl chain lengths were synthesized and their properties as organogelators evaluated. Only the compounds bearing amide groups behave like gelators. Their gelation abilities and phase diagrams were described. A structural study was conducted by freeze-fracture electron microscopy and showed that the methyl ester formed platelet-like aggregates whereas the corresponding free acid formed thin fibers in the gel. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00456-8