[4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate

• 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: [4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
• 化学式: C₂₃H₁₇ClO₄
• 分子量: 392.839
• InChiKey: CNXAALHKGDHOBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对羟基苯甲酸 在 吡啶 、 氯化亚砜 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 生成 [4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
  参考文献：
  名称：

  Dependence of liquid crystallinity on molecular rigidity

  摘要：

  A novel homologous series of liquid crystals (LC) of chalconyl derivatives is synthesized and studied with a view to understanding and establishing the effects of molecular structure on liquid crystal properties. The novel series consists of 12 homologues. Nematogenic LC property commences from C-3 and continues up to C-14 and the smectogenic mesophase is exhibited from C-4 to C-16. The C-3 homologue is a monotropic nematic and the rest of the homologues are enantiotropically smectic and nematic or only smectic (C-16). Transition curves Cr-Sm, Sm-N, Cr-I, and N-I behave in normal manner with exhibition of odd-even effect, showing phase behaviors of the series.

  DOI：

  10.1080/15421406.2015.1068994

文献信息

• Dependence of liquid crystallinity on molecular rigidity
  作者：P. K. Rakhasia、U. C. Bhoya

  DOI：10.1080/15421406.2015.1068994

  日期：2016.1.22

  A novel homologous series of liquid crystals (LC) of chalconyl derivatives is synthesized and studied with a view to understanding and establishing the effects of molecular structure on liquid crystal properties. The novel series consists of 12 homologues. Nematogenic LC property commences from C-3 and continues up to C-14 and the smectogenic mesophase is exhibited from C-4 to C-16. The C-3 homologue is a monotropic nematic and the rest of the homologues are enantiotropically smectic and nematic or only smectic (C-16). Transition curves Cr-Sm, Sm-N, Cr-I, and N-I behave in normal manner with exhibition of odd-even effect, showing phase behaviors of the series.