4-[4-(4-Cyanophenyl)phenoxy]butyl 4-[4-[5-[4-(4-cyanophenyl)phenoxy]pentoxy]phenyl]benzoate | 1116155-00-0

• 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: 4-[4-(4-Cyanophenyl)phenoxy]butyl 4-[4-[5-[4-(4-cyanophenyl)phenoxy]pentoxy]phenyl]benzoate
• 英文别名: 4-[4-(4-cyanophenyl)phenoxy]butyl 4-[4-[5-[4-(4-cyanophenyl)phenoxy]pentoxy]phenyl]benzoate
• CAS: 1116155-00-0
• 化学式: C₄₈H₄₂N₂O₅
• 分子量: 726.872
• InChiKey: YGSFJMNMFOOCCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  55
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-((4'-cyano-[1,1'-biphenyl]-4-yl)oxy)butyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylate 、 4'-((5-bromopentyl)oxy)[1,1'-biphenyl]-4-carbonitrile 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以62%的产率得到4-[4-(4-Cyanophenyl)phenoxy]butyl 4-[4-[5-[4-(4-cyanophenyl)phenoxy]pentoxy]phenyl]benzoate
  参考文献：
  名称：

  Comparison of Liquid-Crystalline Properties of Symmetric and Nonsymmetric Liquid Crystal Trimers

  摘要：

  A series of nonsymmetric liquid crystal trimers, omega-(4-cyanobiphenyl-4'-yloxy)alkyl 4'-co-(4-cyanobiphenyl-4'-yloxy)alkoxy]-4-biphenylcarboxylates, were prepared. The compounds exhibited enantiotropic nematic behavior. The melting points, the nematic-isotropic transition temperatures, and the entropy changes associated with the nematic-isotropic transition showed remarkable odd-even effects as the length of the spacers was varied, in which the even members exhibited higher values. The liquid-crystalline properties were compared with those of analogous symmetric trimers. The nematic-isotropic transition temperatures and the associated entropy changes of the nonsymmetric trimers exhibited lower values in comparison with those of the symmetric trimers.

  DOI：

  10.1080/15421400701617749

文献信息

• Comparison of Liquid-Crystalline Properties of Symmetric and Nonsymmetric Liquid Crystal Trimers
  作者：Toshio Itahara、Hisashi Tamura

  DOI：10.1080/15421400701617749

  日期：2007.11.22

  A series of nonsymmetric liquid crystal trimers, omega-(4-cyanobiphenyl-4'-yloxy)alkyl 4'-co-(4-cyanobiphenyl-4'-yloxy)alkoxy]-4-biphenylcarboxylates, were prepared. The compounds exhibited enantiotropic nematic behavior. The melting points, the nematic-isotropic transition temperatures, and the entropy changes associated with the nematic-isotropic transition showed remarkable odd-even effects as the length of the spacers was varied, in which the even members exhibited higher values. The liquid-crystalline properties were compared with those of analogous symmetric trimers. The nematic-isotropic transition temperatures and the associated entropy changes of the nonsymmetric trimers exhibited lower values in comparison with those of the symmetric trimers.