双(4-甲酰基苯基)庚二酸酯 | 113380-54-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 双(4-甲酰基苯基)庚二酸酯
• 英文名称: bis(4-formylphenyl) heptanedioate
• CAS: 113380-54-4
• 化学式: C₂₁H₂₀O₆
• 分子量: 368.386
• InChiKey: DQAMRWBFIWELFN-UHFFFAOYSA-N

物化性质

• 沸点：
  561.5±45.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)
• 保留指数：
  2268

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-amino-5-dodecyloxyphenol 、 双(4-甲酰基苯基)庚二酸酯 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以69%的产率得到bis(4-((E)-(4-(dodecyloxy)-2-hydroxyphenylimino)methyl)phenyl) heptanedioate
  参考文献：
  名称：

  Symmetrical dimer liquid crystals derived from benzoxazoles

  摘要：

  A series of dimeric twin liquid crystals derived from symmetric heterocyclic benzoxazoles 1a-1f exhibiting single smectic C phase are reported. All benzoxazoles were prepared by condensation of 2-aminophenols with benzaldehydes and then followed by subsequent intramolecular cyclization. The mesomorphic properties were investigated by DSC and POM, and the structure of the mesophases was confirmed as smectic C phases by powder XRD. The formation of mesophases was attributed to the weak dipole force induced by donor-acceptor interaction (D-A). A monolayer conformation was proposed based on the powder XRD data. A value of aspect ratio d/l=0.80-0.92 was calculated from d-spacings and the molecular lengths. By contrast, the odd-even effects by a value of entropy changes Delta S-SmC -> I/R=2.00-6.50 showing odd-even effect for the transition of SmC -> I phases were also associated in twin system. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.001
• 作为产物：
  描述：

  1,7-庚二酰氯 、 对羟基苯甲醛 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以48%的产率得到双(4-甲酰基苯基)庚二酸酯
  参考文献：
  名称：

  Symmetrical dimer liquid crystals derived from benzoxazoles

  摘要：

  A series of dimeric twin liquid crystals derived from symmetric heterocyclic benzoxazoles 1a-1f exhibiting single smectic C phase are reported. All benzoxazoles were prepared by condensation of 2-aminophenols with benzaldehydes and then followed by subsequent intramolecular cyclization. The mesomorphic properties were investigated by DSC and POM, and the structure of the mesophases was confirmed as smectic C phases by powder XRD. The formation of mesophases was attributed to the weak dipole force induced by donor-acceptor interaction (D-A). A monolayer conformation was proposed based on the powder XRD data. A value of aspect ratio d/l=0.80-0.92 was calculated from d-spacings and the molecular lengths. By contrast, the odd-even effects by a value of entropy changes Delta S-SmC -> I/R=2.00-6.50 showing odd-even effect for the transition of SmC -> I phases were also associated in twin system. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.06.001

文献信息

• Symmetrical dimer liquid crystals derived from benzoxazoles
  作者：Cheng-Chung Liao、Chung-Shu Wang、Hwo-Shuenn Sheu、Chung K. Lai

  DOI：10.1016/j.tet.2008.06.001

  日期：2008.8

  A series of dimeric twin liquid crystals derived from symmetric heterocyclic benzoxazoles 1a-1f exhibiting single smectic C phase are reported. All benzoxazoles were prepared by condensation of 2-aminophenols with benzaldehydes and then followed by subsequent intramolecular cyclization. The mesomorphic properties were investigated by DSC and POM, and the structure of the mesophases was confirmed as smectic C phases by powder XRD. The formation of mesophases was attributed to the weak dipole force induced by donor-acceptor interaction (D-A). A monolayer conformation was proposed based on the powder XRD data. A value of aspect ratio d/l=0.80-0.92 was calculated from d-spacings and the molecular lengths. By contrast, the odd-even effects by a value of entropy changes Delta S-SmC -> I/R=2.00-6.50 showing odd-even effect for the transition of SmC -> I phases were also associated in twin system. (C) 2008 Elsevier Ltd. All rights reserved.