(1's,4'r)-4-(1,1,2,3,3,3-hexafluoropropyl)-4'-propyl-[1,1'-bi(cyclohexan)]-4-ol | 1052114-27-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1's,4'r)-4-(1,1,2,3,3,3-hexafluoropropyl)-4'-propyl-[1,1'-bi(cyclohexan)]-4-ol
• CAS: 1052114-27-8
• 化学式: C₁₈H₂₈F₆O
• 分子量: 374.41
• InChiKey: OMABGMZVKNUBRN-USPJYBFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  (1's,4'r)-4-(1,1,2,3,3,3-hexafluoropropyl)-4'-propyl-[1,1'-bi(cyclohexan)]-4-ol 在 氯化亚砜 作用下， 以 吡啶 为溶剂， 反应 18.0h， 以90%的产率得到
  参考文献：
  名称：

  Liquid crystals with partially fluorinated side chains: Highly polar materials with very low birefringence

  摘要：

  Highly polar liquid crystals with very low birefringence were synthesized by a reaction sequence starting with the radical addition of a secondary alcohol to pentafluoropropene and perfluoropropene, respectively. The mesophases and electrooptical properties of the new materials were interpreted using a detailed computational analysis of the conformational equilibrium. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.04.010
• 作为产物：
  描述：

  4-(4-propylcyclohexyl)cyclohexanol 、 六氟丙烯 在 bis(tert-butyl) peroxide 作用下， 反应 24.0h， 生成 (1's,4'r)-4-(1,1,2,3,3,3-hexafluoropropyl)-4'-propyl-[1,1'-bi(cyclohexan)]-4-ol
  参考文献：
  名称：

  Liquid crystals with partially fluorinated side chains: Highly polar materials with very low birefringence

  摘要：

  Highly polar liquid crystals with very low birefringence were synthesized by a reaction sequence starting with the radical addition of a secondary alcohol to pentafluoropropene and perfluoropropene, respectively. The mesophases and electrooptical properties of the new materials were interpreted using a detailed computational analysis of the conformational equilibrium. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.04.010