1-fluoro-6-(trans-4-propylcyclohexyl)-2-naphthyl triflate | 247924-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-fluoro-6-(trans-4-propylcyclohexyl)-2-naphthyl triflate
• CAS: 247924-43-2
• 化学式: C₂₀H₂₂F₄O₃S
• 分子量: 418.452
• InChiKey: JTODUNFVIXDYBC-HDJSIYSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-fluoro-6-(trans-4-propylcyclohexyl)-2-naphthyl triflate 、 3,4,5-三氟苯硼酸 在 四(三苯基膦)钯 作用下， 生成 1-Fluoro-2-(3,4,5-trifluorophenyl)-6-(trans-4-propylcyclohexyl)naphthalene
  参考文献：
  名称：

  Design, Synthesis and Physical Properties of New Liquid Crystal Materials for Active Matrix LCD (2)

  摘要：

  Novel 1-fluoro- and 1,2-difluoronaphthalene derivatives were designed for active matrix LCD and were prepared through the regioselective fluorination of 6-substituted 2-naphthols. These compounds exhibited high nematic-isotropic transition temperatures with very large dielectric anisotropy and large birefringences. These results are useful for design of new liquid crystal mixtures for TFT-displays.

  DOI：

  10.1080/10587250108025059
• 作为产物：
  描述：

  6-(trans-4-Propylcyclohexyl)-2-naphthol 在 三氟甲磺酸 、 N,N’-difluoro-2,2’-bipyridinium bis(tetrafluoroborate) 作用下， 以 二氯甲烷 为溶剂， 生成 1-fluoro-6-(trans-4-propylcyclohexyl)-2-naphthyl triflate
  参考文献：
  名称：

  Design, Synthesis and Physical Properties of New Liquid Crystal Materials for Active Matrix LCD (2)

  摘要：

  Novel 1-fluoro- and 1,2-difluoronaphthalene derivatives were designed for active matrix LCD and were prepared through the regioselective fluorination of 6-substituted 2-naphthols. These compounds exhibited high nematic-isotropic transition temperatures with very large dielectric anisotropy and large birefringences. These results are useful for design of new liquid crystal mixtures for TFT-displays.

  DOI：

  10.1080/10587250108025059