2,3,4-trifluoro-5-(octyloxy)phenyl 4'-(decyloxy)-2,3-difluorobiphenyl-4-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2,3,4-trifluoro-5-(octyloxy)phenyl 4'-(decyloxy)-2,3-difluorobiphenyl-4-carboxylate
• 英文别名: (2,3,4-Trifluoro-5-octoxyphenyl) 4-(4-decoxyphenyl)-2,3-difluorobenzoate；(2,3,4-trifluoro-5-octoxyphenyl) 4-(4-decoxyphenyl)-2,3-difluorobenzoate
• 化学式: C₃₇H₄₅F₅O₄
• 分子量: 648.754
• InChiKey: ADZRWLYYWGPGDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  46
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-benzyloxy-2,3,4-trifluorobenzene 在 10% palladium on active carbon 4-二甲氨基吡啶 、 正丁基锂 、 氢气 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 99.0h， 生成 2,3,4-trifluoro-5-(octyloxy)phenyl 4'-(decyloxy)-2,3-difluorobiphenyl-4-carboxylate
  参考文献：
  名称：

  摘要：

  The synthesis, transition temperatures and chiral properties of a range of novel achiral and racemic liquid crystals with a bent molecular shape containing a 1,5-disubstituted 2,3,4-trifluorophenyl moiety are detailed in the context of the recently popular research topic of banana-shaped liquid crystals. The work represents a speculative extension of research into ferroelectric host materials with high dielectric biaxiality, and some interesting results are discussed. Notably, some achiral materials generate a columnar mesophase where the molecules are tilted within the columns, allowing the generation of chirality, other achiral materials exhibit a 'conventional' mesomorphism in the form of a smectic C phase, but an equal number of oppositely handed regions are generated. A racemic material generates an unidentified smectic phase, which exhibits chiral properties of single handedness despite the racemic nature.

  DOI：

  10.1039/b102988f

文献信息

• ——
  作者：Michael Hird、John W. Goodby、Neil Gough、Kenneth J. Toyne

  DOI：10.1039/b102988f

  日期：2001.10.23

  The synthesis, transition temperatures and chiral properties of a range of novel achiral and racemic liquid crystals with a bent molecular shape containing a 1,5-disubstituted 2,3,4-trifluorophenyl moiety are detailed in the context of the recently popular research topic of banana-shaped liquid crystals. The work represents a speculative extension of research into ferroelectric host materials with high dielectric biaxiality, and some interesting results are discussed. Notably, some achiral materials generate a columnar mesophase where the molecules are tilted within the columns, allowing the generation of chirality, other achiral materials exhibit a 'conventional' mesomorphism in the form of a smectic C phase, but an equal number of oppositely handed regions are generated. A racemic material generates an unidentified smectic phase, which exhibits chiral properties of single handedness despite the racemic nature.