苯甲酸,4-丁氧基-,1,4-亚苯基酯 | 1818-98-0

• 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
• 中文名称: 苯甲酸,4-丁氧基-,1,4-亚苯基酯
• 英文名称: 1,4-Bis-<4-n-butyloxy-benzoyloxy>-benzol
• 英文别名: 1,4-Bis-(4-n-butyloxy-benzoyloxy)-benzol；Benzoic acid,4-butoxy-,1,4-phenylene ester；[4-(4-butoxybenzoyl)oxyphenyl] 4-butoxybenzoate
• CAS: 1818-98-0
• 化学式: C₂₈H₃₀O₆
• 分子量: 462.543
• InChiKey: UFXJWYAXQCSHCY-UHFFFAOYSA-N

物化性质

• 沸点：
  610.7±50.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-丁氧基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 苯甲酸,4-丁氧基-,1,4-亚苯基酯
  参考文献：
  名称：

  Mesomorphic Properties of Diesters with p-Substituted-Arylazomethine Pendant Groups

  摘要：

  The substituent steric and electronic effects on mesophase stability and glass-forming properties of a series of 1,4-bis-(4-n-alkyloxybenzoyloxy)-2-N-(p-Y-aryl) azomethinebenzenes were evaluated. The diesters showed a typical though mild dependence of the monotropic nematic-isotropic transition temperatures on the substituent size that was attributed to the conformational flexibility of the pendant azomethine group. In contrast, the dependence of the entropy change associated with the nematic-isotropic transition showed an atypical behavior ascribed to the extreme reduction of the mesogen axial ratio. The introduction of the bulky arylazomethine group on a lateral position originated significant crystallization supercooling. The appearance of glassy mesophases was detected in some of the diesters; the OEt and CF3 groups were the more effective substituents to promote the formation of nematic glasses.

  DOI：

  10.1080/154214090959984

文献信息

• Liquid Crystals: VII. Smectic-Nematic Transition Temperature as a Function of Alkyl End Group Length in<i>p</i>-Phenylene Di-<i>p-n</i>-alkoxybenzoates
  作者：J. P. Schroeder

  DOI：10.1080/00268948008081343

  日期：1980.10
• Mesomorphic Properties of Diesters with <i>p</i>-Substituted-Arylazomethine Pendant Groups
  作者：Sandra A. Hernández、Raúl O. Garay

  DOI：10.1080/154214090959984

  日期：2006.8.1

  The substituent steric and electronic effects on mesophase stability and glass-forming properties of a series of 1,4-bis-(4-n-alkyloxybenzoyloxy)-2-N-(p-Y-aryl) azomethinebenzenes were evaluated. The diesters showed a typical though mild dependence of the monotropic nematic-isotropic transition temperatures on the substituent size that was attributed to the conformational flexibility of the pendant azomethine group. In contrast, the dependence of the entropy change associated with the nematic-isotropic transition showed an atypical behavior ascribed to the extreme reduction of the mesogen axial ratio. The introduction of the bulky arylazomethine group on a lateral position originated significant crystallization supercooling. The appearance of glassy mesophases was detected in some of the diesters; the OEt and CF3 groups were the more effective substituents to promote the formation of nematic glasses.