1-(3,4-difluorophenyl)-4-(2,6-difluoro-4-propylphenyl)bicyclo[2.2.2]octane | 1345025-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,4-difluorophenyl)-4-(2,6-difluoro-4-propylphenyl)bicyclo[2.2.2]octane
• 英文别名: 1-(3,4-Difluorophenyl)-4-(2,6-difluoro-4-propylphenyl)bicyclo[2.2.2]octane
• CAS: 1345025-46-8
• 化学式: C₂₃H₂₄F₄
• 分子量: 376.437
• InChiKey: UUVXOMAFFCYWQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-二氟苯乙酸 在 盐酸 、 硫酸 、 水 、 苄基三乙基氢氧化铵 、 乙酸酐 、 sodium cyanoborohydride 、 对甲苯磺酸 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 乙醚 、 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 叔丁醇 为溶剂， 反应 64.5h， 生成 1-(3,4-difluorophenyl)-4-(2,6-difluoro-4-propylphenyl)bicyclo[2.2.2]octane
  参考文献：
  名称：

  New Fluorine Substituted Liquid Crystal Containing Bicyclo[2.2.2]Octane Unit

  摘要：

  We have designed and synthesized a new series of liquid crystalline compounds with hybridized three-ring system based on bicyclo[2.2.2]octane unit together with fluorine substituted phenyl and biphenyl fragments. The key stages of the synthesis are alkylation of substituted benzene in concentrated sulfuric acid by bicyclo[2.2.2]octanoles and further cross-coupling between 3,4-difluorophenylboronic acid and the alkylation product. The influence of bicyclo[2.2.2]octane unit position in mesogenic core and fluorine substituents onto a phase transitions of the liquid crystals is discussed.

  DOI：

  10.1080/15421406.2011.570136

文献信息

• New Fluorine Substituted Liquid Crystal Containing Bicyclo[2.2.2]Octane Unit
  作者：R. Ch. Geivandov、V. Mezhnev、T. Geivandova

  DOI：10.1080/15421406.2011.570136

  日期：2011.6.30

  We have designed and synthesized a new series of liquid crystalline compounds with hybridized three-ring system based on bicyclo[2.2.2]octane unit together with fluorine substituted phenyl and biphenyl fragments. The key stages of the synthesis are alkylation of substituted benzene in concentrated sulfuric acid by bicyclo[2.2.2]octanoles and further cross-coupling between 3,4-difluorophenylboronic acid and the alkylation product. The influence of bicyclo[2.2.2]octane unit position in mesogenic core and fluorine substituents onto a phase transitions of the liquid crystals is discussed.