3'-chloro-3,4'-biphenyldiyl bis(4-benzyloxybenzoate) | 1313508-76-7

• 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: 3'-chloro-3,4'-biphenyldiyl bis(4-benzyloxybenzoate)
• 英文别名: [2-Chloro-4-[3-(4-phenylmethoxybenzoyl)oxyphenyl]phenyl] 4-phenylmethoxybenzoate；[2-chloro-4-[3-(4-phenylmethoxybenzoyl)oxyphenyl]phenyl] 4-phenylmethoxybenzoate
• CAS: 1313508-76-7
• 化学式: C₄₀H₂₉ClO₆
• 分子量: 641.12
• InChiKey: ZROAXXDACKMOKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3'-chloro-3,4'-biphenyldiyl bis(4-benzyloxybenzoate) 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以80%的产率得到3'-chloro-3,4'-biphenyldiyl bis(4-hydroxybenzoate)
  参考文献：
  名称：

  Synthesis, Characterization, and Electro-Optic Properties of Novel Bent-Core Mesogens Based on Cinnamoyloxy Derivatives

  摘要：

  The new series of bent-core molecules based on a 3,4'-biphenyldiol central core has been synthesized. The influence of the central core as well as that of a fluorine and chlorine substituent on the diphenyl rings in the bent-core compound has also been examined. A few novel series of bent-core compounds containing cinnamoyloxy or -methylcinnamoyloxy groups in the side arms have been synthesized, and the mesophases exhibited by them have been compared. The mesophases under discussion were investigated by means of polarizing microscopy, differential scanning calorimetry, X-ray diffraction, as well as electro-optical experiments. The influence of the molecular structure on the occurrence of the SmCP phase was investigated. Finally, the electro-optical properties of the SmCP phase, such as voltage-transmittance effect, tilt angle, dielectric permittivity, and switching behavior, were also measured. As a consequence, the correlation between their electro-optical properties and chemical structures of these compounds is investigated.

  DOI：

  10.1080/15421406.2010.526563
• 作为产物：
  描述：

  4-苯甲氧基苯甲酸 、 3'-chloro-biphenyl-3,4'-diol 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以89%的产率得到3'-chloro-3,4'-biphenyldiyl bis(4-benzyloxybenzoate)
  参考文献：
  名称：

  Synthesis, Characterization, and Electro-Optic Properties of Novel Bent-Core Mesogens Based on Cinnamoyloxy Derivatives

  摘要：

  The new series of bent-core molecules based on a 3,4'-biphenyldiol central core has been synthesized. The influence of the central core as well as that of a fluorine and chlorine substituent on the diphenyl rings in the bent-core compound has also been examined. A few novel series of bent-core compounds containing cinnamoyloxy or -methylcinnamoyloxy groups in the side arms have been synthesized, and the mesophases exhibited by them have been compared. The mesophases under discussion were investigated by means of polarizing microscopy, differential scanning calorimetry, X-ray diffraction, as well as electro-optical experiments. The influence of the molecular structure on the occurrence of the SmCP phase was investigated. Finally, the electro-optical properties of the SmCP phase, such as voltage-transmittance effect, tilt angle, dielectric permittivity, and switching behavior, were also measured. As a consequence, the correlation between their electro-optical properties and chemical structures of these compounds is investigated.

  DOI：

  10.1080/15421406.2010.526563

文献信息

• Synthesis, Characterization, and Electro-Optic Properties of Novel Bent-Core Mesogens Based on Cinnamoyloxy Derivatives
  作者：Chien-Tung Liao、Jiunn-Yih Lee、Chiu-Chun Lai

  DOI：10.1080/15421406.2010.526563

  日期：2011.1.13

  The new series of bent-core molecules based on a 3,4'-biphenyldiol central core has been synthesized. The influence of the central core as well as that of a fluorine and chlorine substituent on the diphenyl rings in the bent-core compound has also been examined. A few novel series of bent-core compounds containing cinnamoyloxy or -methylcinnamoyloxy groups in the side arms have been synthesized, and the mesophases exhibited by them have been compared. The mesophases under discussion were investigated by means of polarizing microscopy, differential scanning calorimetry, X-ray diffraction, as well as electro-optical experiments. The influence of the molecular structure on the occurrence of the SmCP phase was investigated. Finally, the electro-optical properties of the SmCP phase, such as voltage-transmittance effect, tilt angle, dielectric permittivity, and switching behavior, were also measured. As a consequence, the correlation between their electro-optical properties and chemical structures of these compounds is investigated.