2,3',4'-trifluoro-4-(4-pentylbicyclo[2.2.2]oct-1-yl)biphenyl | 1345025-51-5

• 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: 2,3',4'-trifluoro-4-(4-pentylbicyclo[2.2.2]oct-1-yl)biphenyl
• 英文别名: 1-[4-(3,4-Difluorophenyl)-3-fluorophenyl]-4-pentylbicyclo[2.2.2]octane；1-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4-pentylbicyclo[2.2.2]octane
• CAS: 1345025-51-5
• 化学式: C₂₅H₂₉F₃
• 分子量: 386.5
• InChiKey: MWUFKFKSEAQANP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻溴氟苯 、 4-戊基二环[2.2.2]辛烷-1-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 硫酸 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 2,3',4'-trifluoro-4-(4-pentylbicyclo[2.2.2]oct-1-yl)biphenyl
  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.