3'-chloro-3,4'-biphenyldiyl bis(4-hydroxybenzoate) | 1313508-78-9

• 英文名称: 3'-chloro-3,4'-biphenyldiyl bis(4-hydroxybenzoate)
• CAS: 1313508-78-9
• 化学式: C₂₆H₁₇ClO₆
• 分子量: 460.87
• InChiKey: TZJNACUKZYAFNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.86
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3'-chloro-3,4'-biphenyldiyl bis(4-hydroxybenzoate) 、 (E)-4-tetradecyloxycinnamic acid 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78%的产率得到3'-chlorobiphenyl-3,4'-diyl bis(4-(3-(4-(tetradecyloxy)phenyl)acryloyloxy)benzoate)
  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 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 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