2-Methyl-4-(4-pentyloxy-phenylethynyl)-phenol | 239104-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Methyl-4-(4-pentyloxy-phenylethynyl)-phenol
• CAS: 239104-41-7
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: VECMFCUPLDFPDL-UHFFFAOYSA-N

物化性质

• 沸点：
  454.6±45.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 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：
  0.3
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-Methyl-4-(4-pentyloxy-phenylethynyl)-phenol 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 对甲苯磺酸 、 三乙胺 、 三苯基膦 作用下， 生成 1-[2-(4-Butylphenyl)ethynyl]-2-methyl-4-[2-(4-pentoxyphenyl)ethynyl]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
• 作为产物：
  描述：

  4-正戊氧基溴苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide sodium hydroxide 、 对甲苯磺酸 、 三乙胺 、 三苯基膦 作用下， 以 水 、 甲苯 为溶剂， 生成 2-Methyl-4-(4-pentyloxy-phenylethynyl)-phenol
  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