1-(4-propylphenylethynyl)-4-(4-hexylphenylethynyl)benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-propylphenylethynyl)-4-(4-hexylphenylethynyl)benzene
• 英文别名: 1-[2-(4-Hexylphenyl)ethynyl]-4-[2-(4-propylphenyl)ethynyl]benzene
• 化学式: C₃₁H₃₂
• 分子量: 404.595
• InChiKey: PSSOZVZMCRVLQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  [4-(tetrahydropyran-2-yloxy)phenyl]ethyne 在 bis-triphenylphosphine-palladium(II) chloride 吡啶 、 对甲苯磺酸 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-propylphenylethynyl)-4-(4-hexylphenylethynyl)benzene
  参考文献：
  名称：

  High Birefringence Phenylacetylene Liquid Crystals with Low Viscosity

  摘要：

  We have synthesized new high Delta n 3-ring phenylacetylene(3PA) liquid crystals which have substituent groups with core center phenyl ring and investigated the effects of substitution on physical properties. Nematic range and viscosity were improved remarkably with keeping high Delta n by introducing trifluoromrthoxy group. The Delta n of 3PAs were also descussed with relationship of polarizability and order parameter.

  DOI：

  10.1080/10587250108025039

文献信息

• High Birefringence Phenylacetylene Liquid Crystals with Low Viscosity
  作者：Chizu Sekine、Koichi Fujisawa、Kazunori Iwakura、Masayoshi Minai

  DOI：10.1080/10587250108025039

  日期：2001.8

  We have synthesized new high Delta n 3-ring phenylacetylene(3PA) liquid crystals which have substituent groups with core center phenyl ring and investigated the effects of substitution on physical properties. Nematic range and viscosity were improved remarkably with keeping high Delta n by introducing trifluoromrthoxy group. The Delta n of 3PAs were also descussed with relationship of polarizability and order parameter.