4-(difluoro-(4-(4-propylcyclohexyl)cyclohexyl)methoxy)benzenamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(difluoro-(4-(4-propylcyclohexyl)cyclohexyl)methoxy)benzenamine
• 英文别名: 4-[Difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]aniline
• 化学式: C₂₂H₃₃F₂NO
• 分子量: 365.507
• InChiKey: BAYSLALAASDLEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(difluoro-(4-(4-propylcyclohexyl)cyclohexyl)methoxy)benzenamine 、 原甲酸三乙酯 在 sodium azide 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以89%的产率得到1-(4-(difluoro-(4-(4-propylcyclohexyl)cyclohexyl)methoxy)phenyl)-1H-tetrazole
  参考文献：
  名称：

  N-terminal strategy (N1–N4) toward high performance liquid crystal materials

  摘要：

  Liquid crystal materials have a variety of applications in many fields such as display techniques as well as photonics and optics. However, only few design principles have been disclosed on liquid crystal materials with different N-heterocycles as the terminal groups, which hinder the development of the heterocyclic liquid crystals. Here, a strategy of molecular design for N-heterocyclic liquid crystal materials is reported. On the basis of this strategy, a series of convenient N-heterocycles such as pyrrole, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, 1,2,3,4-tetrazole were applied to synthesize the novel liquid crystals. Most of them have proved to exhibit good mesomorphic behaviors which make them excellent components in the mixture of the LCDs materials. The simple attachment of N-heterocyclic units to the liquid crystal molecules through a mild reaction condition will provide a good prospect for the design of N-heterocyclic liquid crystals. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.11.013
• 作为产物：
  描述：

  4-(4-propylcyclohexyl)cyclohexanecarboxylic acid 在 氯化铵 、 三乙胺 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 异辛烷 、 二氯甲烷 、 甲苯 为溶剂， 反应 29.17h， 生成 4-(difluoro-(4-(4-propylcyclohexyl)cyclohexyl)methoxy)benzenamine
  参考文献：
  名称：

  N-terminal strategy (N1–N4) toward high performance liquid crystal materials

  摘要：

  Liquid crystal materials have a variety of applications in many fields such as display techniques as well as photonics and optics. However, only few design principles have been disclosed on liquid crystal materials with different N-heterocycles as the terminal groups, which hinder the development of the heterocyclic liquid crystals. Here, a strategy of molecular design for N-heterocyclic liquid crystal materials is reported. On the basis of this strategy, a series of convenient N-heterocycles such as pyrrole, pyrazole, imidazole, 1,2,3-triazole, 1,2,4-triazole, 1,2,3,4-tetrazole were applied to synthesize the novel liquid crystals. Most of them have proved to exhibit good mesomorphic behaviors which make them excellent components in the mixture of the LCDs materials. The simple attachment of N-heterocyclic units to the liquid crystal molecules through a mild reaction condition will provide a good prospect for the design of N-heterocyclic liquid crystals. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.11.013