4-[2-(4-hexylphenyl)ethynyl]-2-methylphenol | 377079-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[2-(4-hexylphenyl)ethynyl]-2-methylphenol
• CAS: 377079-60-2
• 化学式: C₂₁H₂₄O
• 分子量: 292.421
• InChiKey: YWKKXWHVTMDJIG-UHFFFAOYSA-N

物化性质

• 沸点：
  444.6±45.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-[2-(4-hexylphenyl)ethynyl]-2-methylphenol 在 bis-triphenylphosphine-palladium(II) chloride 吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(4-己基苯基)乙炔基]-2-甲基-1-[2-(4-丙基苯基)乙炔基]苯
  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
• 作为产物：
  描述：

  4-碘-2-甲基苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 氢氧化钾 、 对甲苯磺酸 、 三乙胺 、 三苯基膦 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 4-[2-(4-hexylphenyl)ethynyl]-2-methylphenol
  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