3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl 4-formylbenzoate | 1331828-94-4

• 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: 3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl 4-formylbenzoate
• CAS: 1331828-94-4
• 化学式: C₃₅H₃₂O₈
• 分子量: 580.634
• InChiKey: UHGDZSZYEGDYFS-UHFFFAOYSA-N

物化性质

• 熔点：
  137 °C
• 沸点：
  744.9±60.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  43.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  105.2
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl 4-formylbenzoate 、 p-庚氧基苯胺 以 氯仿 为溶剂， 反应 4.0h， 以71%的产率得到3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl-4-((4-(heptyloxy)phenylimino)methyl)benzoate
  参考文献：
  名称：

  Electro-optical switching studies on 1,3-phenylene based banana shaped liquid crystals

  摘要：

  This work deals with the study of the thermotropic liquid crystalline properties of new asymmetric bent core liquid crystals. The thermotropic properties was analyzed by polarized optical microscopy, differential scanning calorimetric analysis and variable temperature X-ray diffraction measurements. Effect of equal terminal chain with asymmetric bent core system on mesomorphic behavior was examined. The shorter methyl chain compound 10a of exhibits B-1 mesophase and higher homologs (10b and 10c) shows antiferroelectric B-2 mesophases, which was studied by electro-optical measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.06.027
• 作为产物：
  描述：

  4-((3-(benzyloxy)phenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 36.17h， 生成 3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl 4-formylbenzoate
  参考文献：
  名称：

  Electro-optical switching studies on 1,3-phenylene based banana shaped liquid crystals

  摘要：

  This work deals with the study of the thermotropic liquid crystalline properties of new asymmetric bent core liquid crystals. The thermotropic properties was analyzed by polarized optical microscopy, differential scanning calorimetric analysis and variable temperature X-ray diffraction measurements. Effect of equal terminal chain with asymmetric bent core system on mesomorphic behavior was examined. The shorter methyl chain compound 10a of exhibits B-1 mesophase and higher homologs (10b and 10c) shows antiferroelectric B-2 mesophases, which was studied by electro-optical measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.06.027