1-(4-((4-(dodecyloxy)benzoyl)oxy)phenyl)-3-(3,7,11-trimethyldodecyl)-1H-imidazol-3-ium iodide | 960239-32-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 1-(4-((4-(dodecyloxy)benzoyl)oxy)phenyl)-3-(3,7,11-trimethyldodecyl)-1H-imidazol-3-ium iodide
• CAS: 960239-32-1
• 化学式: C₄₃H₆₇N₂O₃*I
• 分子量: 786.921
• InChiKey: VQXNHEJGKRJNAG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.95
• 重原子数：
  49.0
• 可旋转键数：
  26.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  44.34
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-(1H-imidazol-1-yl)phenyl 4-(dodecyloxy)benzoate 、 3,7,11-trimethyl-1-dodecyl iodide 以 甲苯 为溶剂， 以90%的产率得到1-(4-((4-(dodecyloxy)benzoyl)oxy)phenyl)-3-(3,7,11-trimethyldodecyl)-1H-imidazol-3-ium iodide
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Rigid-Core Ionic Liquid Crystals

  摘要：

  Ionic liquid crystals combine the unique solvent properties of ionic liquids with self-organization found for liquid crystals. We report a detailed analysis of the structure-property relationship of a series of new imidazolium-based liquid crystals with an extended aromatic core. Investigated parameters include length and nature of the tails, the length of the rigid core, the lateral substitution pattern, and the nature of the counterion. Depending on the molecular structure, two mesophases were observed: a bilayered SmA(2) phase and the more common monolayered SmA phase, both strongly interdigitated. Most materials show mesophases stable to high temperatures. For some cases, crystallization could be suppressed, and room-temperature liquid crystalline phases were obtained. The mesomorphic properties of several mixtures of ionic liquid crystals were investigated. Many mixtures showed full miscibility and ideal mixing behavior; however, in some instances we observed, surprisingly, complete demixing of the component SmA phases. The ionic liquid crystals and mixtures presented have potential applications, due to their low melting temperatures, wide temperature ranges, and stability with extra ion-doping.

  DOI：

  10.1021/ja075651a