benzene-1,2-diylbis[4-(4-octyloxybenzoyloxy)-benzoate]

• 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: benzene-1,2-diylbis[4-(4-octyloxybenzoyloxy)-benzoate]
• 英文别名: [4-[2-[4-(4-Octoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octoxybenzoate
• 化学式: C₅₀H₅₄O₁₀
• 分子量: 814.973
• InChiKey: MNULWWPEQKIFGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  60
• 可旋转键数：
  28
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  邻苯二酚 、 4-(4-辛氧基苯基羰基氧基)-苯甲酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 10.17h， 以78.6%的产率得到benzene-1,2-diylbis[4-(4-octyloxybenzoyloxy)-benzoate]
  参考文献：
  名称：

  Synthesis of V-Shaped liquid crystal benzoates

  摘要：

  V-Shaped mesogens, benzene-1,2-diylbis[4-(4-alkoxybenzoyloxy)benzoates], were synthesized and their mesomorphic behavior was studied. For the homolog with terminal heptyloxy group, enantiotropic nematic and monotropic smectic A phases were observed; the subsequent homologs formed exclusively enantiotropic smectic A phase. It was found that the isomeric ester of benzene-1,2-dicarboxylic acid with heptyloxy groups at the phenol fragments did not possess mesomorphism.

  DOI：

  10.1134/s1070363215070051

文献信息

• Synthesis of V-Shaped liquid crystal benzoates
  作者：L. G. Derkach、N. S. Novikova、E. Górecka、E. D. Kilimenchuk

  DOI：10.1134/s1070363215070051

  日期：2015.7

  V-Shaped mesogens, benzene-1,2-diylbis[4-(4-alkoxybenzoyloxy)benzoates], were synthesized and their mesomorphic behavior was studied. For the homolog with terminal heptyloxy group, enantiotropic nematic and monotropic smectic A phases were observed; the subsequent homologs formed exclusively enantiotropic smectic A phase. It was found that the isomeric ester of benzene-1,2-dicarboxylic acid with heptyloxy groups at the phenol fragments did not possess mesomorphism.