1-(4-benzyloxybenzoyloxy)phenylene-3-(4-n-dodecyloxybenzoyloxy-4-benzoate) | 791849-98-4

• 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: 1-(4-benzyloxybenzoyloxy)phenylene-3-(4-n-dodecyloxybenzoyloxy-4-benzoate)
• CAS: 791849-98-4
• 化学式: C₄₆H₄₈O₈
• 分子量: 728.882
• InChiKey: ZMGJLDTWJQCVQT-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C
• 沸点：
  831.2±65.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.22
• 重原子数：
  54.0
• 可旋转键数：
  21.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  97.36
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1-(4-benzyloxybenzoyloxy)phenylene-3-(4-n-dodecyloxybenzoyloxy-4-benzoate) 在 palladium on activated charcoal 氢气 作用下， 以 1,4-二氧六环 为溶剂， 以83%的产率得到1-(4-hydroxybenzoyloxy)phenylene-3-(4-n-dodecyloxybenzoyloxy-4-benzoate)
  参考文献：
  名称：

  Influence of a fluorine substituent on the mesomorphic properties of unsymmetrical five-ring bent-core compounds

  摘要：

  报告了在一个臂中含有一个氟取代基的非对称五环弯曲核化合物的合成和介观性质。与具有两个氟取代基的对称化合物的性质比较表明，该取代基的位置对观察到的介相性质有影响。研究还提供了从矩形柱状（B1）相向反铁电层状（B2）相过渡的证据，这种过渡相当罕见。利用偏光显微镜、差示扫描量热法、X 射线衍射和电光研究对介相进行了表征。

  DOI：

  10.1039/b406548b
• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 1-(4-benzyloxybenzoyloxy)phenylene-3-(4-n-dodecyloxybenzoyloxy-4-benzoate)
  参考文献：
  名称：

  Influence of a fluorine substituent on the mesomorphic properties of unsymmetrical five-ring bent-core compounds

  摘要：

  报告了在一个臂中含有一个氟取代基的非对称五环弯曲核化合物的合成和介观性质。与具有两个氟取代基的对称化合物的性质比较表明，该取代基的位置对观察到的介相性质有影响。研究还提供了从矩形柱状（B1）相向反铁电层状（B2）相过渡的证据，这种过渡相当罕见。利用偏光显微镜、差示扫描量热法、X 射线衍射和电光研究对介相进行了表征。

  DOI：

  10.1039/b406548b

文献信息

• Novel Supramolecular Side-Chain Banana-Shaped Liquid Crystalline Polymers Containing Covalent- and Hydrogen-Bonded Bent Cores
  作者：Ling-Yung Wang、Hsin-Yi Tsai、Hong-Cheu Lin

  DOI：10.1021/ma901960c

  日期：2010.2.9

  Novel supramolecular side-chain banana-shaped liquid crystalline (LC) polymer complexes AmBn-N bearing various (m/n) molar ratios of hydrogen- and covalent-bonded bent-core components were acquired by the free radical polymerization, where the hydrogen-bonded (H-bonded) structures were executed via mixing equimolar portions of proton donor (H-donor) polymers AmBn (homopolymers/copolymers) and pyridyl proton acceptor (H-acceptor) bent cores (small molecules). The influences of the molar ratios of bent-core H-bonded components in side-chain banana-shaped LC polymers and their corresponding polymer complexes on mesomorphic and electro-optical properties were first investigated. The voltage-dependent antiferroelectric properties of spontaneous polarization (Ps) values in the polar smectic phase of the supramolecular side-chain banana-shaped copolymers were also reported. The nematic and tilted smectic phases were verified by XRD measurements, and the SmCp phase was further confirmed by the triangular wave method. Suprinsingly, a novel enantiotropic polar smectic (SmCPA) phase was generated in some bent-core side-chain polymer complexes AmBn-N. Therefore, a special approach to constructing (or stabilizing) the SmCP phase was first developed in this study by copolymerization of bent-core covalent - and H-bonded units in side-chain polymer complexes (with proper m/n molar ratios of 16/1 and 10/1 from both bent-core covalent- and H-bonded monomers (i.e., B and A-N units, respectively) without the SmCP phase.