Phenyl-4(4-benzoyloxy)benzoyloxybenzoate | 85800-06-2

• 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
• 英文名称: Phenyl-4(4-benzoyloxy)benzoyloxybenzoate
• 英文别名: Phenyl 4-(4-benzoyloxybenzoyl)benzoate；4-(Phenoxycarbonyl)phenyl 4-(benzoyloxy)benzoate；(4-phenoxycarbonylphenyl) 4-benzoyloxybenzoate
• CAS: 85800-06-2
• 化学式: C₂₇H₁₈O₆
• 分子量: 438.436
• InChiKey: XQRZNXLGGNKOPW-UHFFFAOYSA-N

物化性质

• 熔点：
  181 °C
• 沸点：
  623.0±40.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-苯甲酰氧基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 Phenyl-4(4-benzoyloxy)benzoyloxybenzoate
  参考文献：
  名称：

  Phase Equilibria in Liquid Crystalline Systems Part I. Synthesis and Liquid Crystalline Properties of Oligomers of the p-Oxybenzoate Series

  摘要：

  AbstractSyntheses of the trimer (n = 3), tetramer (n = 4) and the pentamer (n = 5) of the p‐oxybenzoate series C6H5CO(–OC6H4CO)n‐2‐OC6H5 are reported. Densities and thermal expansion coefficients of the neat liquids were measured and phase transitions in the pure compounds and their binary mixtures were investigated by differential scanning calorimetry (DSC). The nematic‐isotropic transition is directly accessible only in the case of the tetramer (melting point 181°C, nematic‐isotropic transition temperature TNI = 254°); the trimer melts to an isotropic liquid at 136°C and the nematic‐isotropic transition of the pentamer (melting point 224°C) lies above the range of thermal stability. DSC results for the binary mixtures show the coexistence range of the nematic and the isotropic phases to be very small; it is obscured by pre‐ and post‐transition effects. In satisfactory approximation therefore, the binary mixtures can be treated as one‐component systems, and TNI may be identified with the maximum of the DSC peak. Values of TNI thus obtained are linear with respect to composition and may be extrapolated to obtain TNI = 100°C for the pure trimer and 464°C for the pure pentamer. As shown by conformational analysis, all conformers of a given homolog have virtually the same axial ratio. These compounds therefore can be treated as rigid rods.

  DOI：

  10.1002/bbpc.19840880605

文献信息

• Phase Equilibria in Liquid Crystalline Systems Part I. Synthesis and Liquid Crystalline Properties of Oligomers of the p-Oxybenzoate Series
  作者：M. Ballauff、D. Wu、P. J. Flory、E. M. Barrall

  DOI：10.1002/bbpc.19840880605

  日期：1984.6

  AbstractSyntheses of the trimer (n = 3), tetramer (n = 4) and the pentamer (n = 5) of the p‐oxybenzoate series C6H5CO(–OC6H4CO)n‐2‐OC6H5 are reported. Densities and thermal expansion coefficients of the neat liquids were measured and phase transitions in the pure compounds and their binary mixtures were investigated by differential scanning calorimetry (DSC). The nematic‐isotropic transition is directly accessible only in the case of the tetramer (melting point 181°C, nematic‐isotropic transition temperature TNI = 254°); the trimer melts to an isotropic liquid at 136°C and the nematic‐isotropic transition of the pentamer (melting point 224°C) lies above the range of thermal stability. DSC results for the binary mixtures show the coexistence range of the nematic and the isotropic phases to be very small; it is obscured by pre‐ and post‐transition effects. In satisfactory approximation therefore, the binary mixtures can be treated as one‐component systems, and TNI may be identified with the maximum of the DSC peak. Values of TNI thus obtained are linear with respect to composition and may be extrapolated to obtain TNI = 100°C for the pure trimer and 464°C for the pure pentamer. As shown by conformational analysis, all conformers of a given homolog have virtually the same axial ratio. These compounds therefore can be treated as rigid rods.