4-((4-chlorophenyl)diazenyl)naphthalen-1-yl 4-butoxybenzoate | 1357515-07-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-((4-chlorophenyl)diazenyl)naphthalen-1-yl 4-butoxybenzoate
• CAS: 1357515-07-1
• 化学式: C₂₇H₂₃ClN₂O₃
• 分子量: 458.944
• InChiKey: QRHXMDGBYVIHIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.31
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  60.25
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  对氯苯胺 在 吡啶 、 盐酸 、 sodium nitrite 作用下， 生成 4-((4-chlorophenyl)diazenyl)naphthalen-1-yl 4-butoxybenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphism of Novel Liquid Crystalline: 4-(4′-n-Alkoxy Benzoyloxy)-Naphthylazo-4″-Chlorobenzenes

  摘要：

  A new azoester homologous series 4-(4'-n-alkoxy benzoyloxy)-naphthylazo-4 ''-chlorobenzenes is synthesized. Its first and second homologues are nonmesomorphic, while the rest of the homologues are mesomorphic, showing enantiotropic nematic behavior. Smectic character is totally absent. An odd-even effect is observed in the nematic-isotropic transition curve with alternation in transition temperatures. The average thermal stability and liquid crystal behavior for the nematic mesophase are compared with structurally similar homologous series. Analytical data support the structures of the molecules. The texture of the nematic mesophase is of threaded type. Transition temperatures are observed through hot-stage polarizing microscope. Analytical data support the structures.

  DOI：

  10.1080/15421406.2011.591667