| 666823-53-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 666823-53-6
• 化学式: C₂₉H₂₃NO₄
• 分子量: 449.506
• InChiKey: OYYCMQBYMAHGCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.55
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 5-溴-1-戊烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以71%的产率得到3-[4-(4-Cyanophenyl)phenoxy]propyl 4-(4-pent-4-enoxyphenyl)benzoate
  参考文献：
  名称：

  Vinyl-Substituted Liquid Crystal Dimers

  摘要：

  A series of vinyl-substituted liquid crystal dimers, -(4-cyanobiphenyl-4'-yloxy)alkyl 4'-(4-pentenyloxy)-4-biphenylcarboxylates, was prepared. The compounds exhibited nematic and smectic liquid crystalline behavior depending on the chain length of the flexible spacer. The nematic-isotropic and smectic-isotropic transition temperatures and the entropy changes associated with the transitions showed odd-even effects as the number of atoms in the flexible spacer was varied, in which the even members exhibited higher values. The liquid crystalline properties of the compounds were compared with those of related known liquid crystal dimers and trimers.

  DOI：

  10.1080/15421400802122698
• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 、 4′-(3-bromopropoxy)-[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53%的产率得到
  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