Tris[4-(4-heptoxycarbonylphenoxy)carbonylphenyl] benzene-1,2,4-tricarboxylate | 1194090-80-6

• 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: Tris[4-(4-heptoxycarbonylphenoxy)carbonylphenyl] benzene-1,2,4-tricarboxylate
• 英文别名: tris[4-(4-heptoxycarbonylphenoxy)carbonylphenyl] benzene-1,2,4-tricarboxylate
• CAS: 1194090-80-6
• 化学式: C₇₂H₇₂O₁₈
• 分子量: 1225.35
• InChiKey: UWKBNBAZRACQSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.6
• 重原子数：
  90
• 可旋转键数：
  42
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  237
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  1,2,4-tris(4-chloroformylphenyloxycarbonyl)benzene 、 尼泊金庚酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 Tris[4-(4-heptoxycarbonylphenoxy)carbonylphenyl] benzene-1,2,4-tricarboxylate
  参考文献：
  名称：

  Dipole architecture of molecules and mesomorphic behavior of liquid crystals with rigid T-shaped mesogenic fragment

  摘要：

  A number of liquid crystalline polyesters having a rigid T-shaped mesogenic fragment and differing in dipole architecture were synthesized and examined by polarizing optical microscopy, differential scanning calorimetry, and IR and (1)H NMR spectroscopy. The thermal stability of the mesophase in the given series of compounds was shown to increase with extension of arms in the T-shaped mesogenic fragment, as well as on replacement of the terminal ester groups (COOAlk) therein by ether moieties (OAlk). Such replacement also enhances smectogenic properties.

  DOI：

  10.1134/s107036320808015x

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.
• Dipole architecture of molecules and mesomorphic behavior of liquid crystals with rigid T-shaped mesogenic fragment
  作者：V. V. Zuev

  DOI：10.1134/s107036320808015x

  日期：2008.8

  A number of liquid crystalline polyesters having a rigid T-shaped mesogenic fragment and differing in dipole architecture were synthesized and examined by polarizing optical microscopy, differential scanning calorimetry, and IR and (1)H NMR spectroscopy. The thermal stability of the mesophase in the given series of compounds was shown to increase with extension of arms in the T-shaped mesogenic fragment, as well as on replacement of the terminal ester groups (COOAlk) therein by ether moieties (OAlk). Such replacement also enhances smectogenic properties.