1,2,4-tris(4'-n-amyloxybiphenyl-4-yloxycarbonyl)benzene

• 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: 1,2,4-tris(4'-n-amyloxybiphenyl-4-yloxycarbonyl)benzene
• 英文别名: 1,2,4-tris(4'-n-amyloxybiphenyloxycarbonyl)benzene；Tris[4-(4-pentoxyphenyl)phenyl] benzene-1,2,4-tricarboxylate；tris[4-(4-pentoxyphenyl)phenyl] benzene-1,2,4-tricarboxylate
• 化学式: C₆₀H₆₀O₉
• 分子量: 925.131
• InChiKey: MLMTWWQXPGNLJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.3
• 重原子数：
  69
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,2,4-苯三甲酸 、 4'-(pentyloxy)[1,1'-biphenyl]-4-ol 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以66%的产率得到1,2,4-tris(4'-n-amyloxybiphenyl-4-yloxycarbonyl)benzene
  参考文献：
  名称：

  Mesomorphic compounds with a rigid T-shaped mesogenic fragment

  摘要：

  Mesomorphic polyesters with a rigid T-shaped mesogenic fragment were prepared and studied by polarization optical microscopy, differential scanning calorimetry, and IR and H-1 NMR spectroscopy. An increase in the length of aliphatic substituents in the mesogenic fragment leads to a change from the nematic type of the mesophase to the smectic type.

  DOI：

  10.1134/s1070363207080087

文献信息

• Synthesis of Y-Shaped Liquid Crystals and the Influence of Their Structure on the Phase Behavior
  作者：Vjacheslav V. Zuev

  DOI：10.1080/15421400902841247

  日期：2009.8.6

  A series of the Y-shaped liquid crystalline (LC) materials based on central 1,2,4-benzenetricarboxylic core was synthesized with variation of the arm length (two or three para-linked phenyl rings) in the Y-shaped mesogen and their dipole architecture (ether or ester terminal and linked groups). Our results indicate that main relationships between molecular structure and mesomorphic behavior well known for the calamitic LC are valid for the Y-shaped compounds too. Smectic mesophases might be obtained by lengthening the mesogen with an additional aromatic core in the arm or with an alkyl chain at the tail. The substitution of the alkoxy terminal groups on to alkanoyl also leads to the enhanced smectic behavior of the Y-shaped molecules.
• Mesomorphic compounds with a rigid T-shaped mesogenic fragment
  作者：V. V. Zuev

  DOI：10.1134/s1070363207080087

  日期：2007.8

  Mesomorphic polyesters with a rigid T-shaped mesogenic fragment were prepared and studied by polarization optical microscopy, differential scanning calorimetry, and IR and H-1 NMR spectroscopy. An increase in the length of aliphatic substituents in the mesogenic fragment leads to a change from the nematic type of the mesophase to the smectic type.