4-(hexyloxy)benzoic acid compound with 4-hydroxybenzaldehyde (1:1) | 1309359-07-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(hexyloxy)benzoic acid compound with 4-hydroxybenzaldehyde (1:1)
• CAS: 1309359-07-6
• 化学式: C₇H₆O₂*C₁₃H₁₈O₃
• 分子量: 344.408
• InChiKey: FYZMIIZTBVWCSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  83.83
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-己氧基苯甲酸 、 对羟基苯甲醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 4-(hexyloxy)benzoic acid compound with 4-hydroxybenzaldehyde (1:1)
  参考文献：
  名称：

  Influence of Terminal Groups on the Mesogenic Properties of Self-Assembly Systems

  摘要：

  Two novel hydrogen-bonded liquid crystal homologous series are synthesized and characterized. A hydrogen bond is formed between various p-n alkyloxy benzoic acids and chloro/hydroxy benzaldehyde. The formation of hydrogen bonds is evinced through Fourier Infra Red Spectroscopy studies. The terminal group of the aldehyde group has been varied and the thermal, optical, and electrical results are compared and analyzed. Both series exhibit rich liquid crystalline-phase polymorphism. Phase diagrams are constructed from the Differential Scanning Calorimetry and optical polarizing microscopic data. The phase sequence is same for both the series, with nematic, smectic C, and smectic G phases. A noteworthy point is the observation of optical shuttering action in the homologous series with the chloro terminal group of the aldehyde group and absence of the same in the other homologous series. The influence of terminal group of the aldehyde group with respect to occurrence of phase variance, tilt angle, optical shuttering action, and odd-even effect is discussed.

  DOI：

  10.1080/15421406.2011.591682