Bis(4-{[4-(tetradecyloxy)benzoyl]oxy}phenyl) hexanedioate | 848139-54-8

• 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: Bis(4-{[4-(tetradecyloxy)benzoyl]oxy}phenyl) hexanedioate
• 英文别名: bis[4-(4-tetradecoxybenzoyl)oxyphenyl] hexanedioate
• CAS: 848139-54-8
• 化学式: C₆₀H₈₂O₁₀
• 分子量: 963.305
• InChiKey: SPXJPBAEFTWJKK-UHFFFAOYSA-N

物化性质

• 熔点：
  122 °C
• 沸点：
  943.6±65.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  19.8
• 重原子数：
  70
• 可旋转键数：
  43
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  己二酰氯 、 4-hydroxyphenyl 4-(tetradecyloxy)benzoate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 Bis(4-{[4-(tetradecyloxy)benzoyl]oxy}phenyl) hexanedioate
  参考文献：
  名称：

  Troponoid Twin Dimers with Four Rings: Synthesis and Mesomorphic Properties

  摘要：

  Twin-type troponoids with two benzene and two tropone rings were prepared, They showed nematic phases when the inner and the side chains are short. while smectic A phases appear when the inner chain becomes long. Twins with long side chains and a short inner chain had smectic C phases. From, X-ray diffraction study, molecular packing models are proposed. The Corresponding benzenoid twins showed nematic and smectic C phases with higher thermal stability than the troponoids.

  DOI：

  10.1080/15421400490434982

文献信息

• Troponoid Twin Dimers with Four Rings: Synthesis and Mesomorphic Properties
  作者：Akira Mori、Manabu Takemoto、Seiji Ujiie

  DOI：10.1080/15421400490434982

  日期：2004.1

  Twin-type troponoids with two benzene and two tropone rings were prepared, They showed nematic phases when the inner and the side chains are short. while smectic A phases appear when the inner chain becomes long. Twins with long side chains and a short inner chain had smectic C phases. From, X-ray diffraction study, molecular packing models are proposed. The Corresponding benzenoid twins showed nematic and smectic C phases with higher thermal stability than the troponoids.