4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzoyloxy]benzoic acid | 260056-66-4

• 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: 4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzoyloxy]benzoic acid
• CAS: 260056-66-4
• 化学式: C₂₄H₁₇F₁₃O₅
• 分子量: 632.375
• InChiKey: GEMDXYIQCYECIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.89
• 重原子数：
  42.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzoyloxy]benzoic acid 、 间苯二酚 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以22%的产率得到1,3-bis{4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzoyloxy]benzoyloxy}benzene
  参考文献：
  名称：

  Molecular Design of Nonchiral Bent-Core Liquid Crystals with Antiferroelectric Properties

  摘要：

  Novel bent-core (banana-shaped) liquid crystals without Schiff-base units have been synthesized and investigated by polarized light optical microscopy, differential scanning calorimetry, X-ray scattering, and electrooptical investigations. These molecules are 4-(4-alkylbenzoyloxy)benzoates and 4-(4-alkoxybenzoyloxy)benzoates of resorcinol, 3,4'-dihydroxybiphenyl, and 4,4"-dihydroxy-1,1':3',1"-terphenyl. Three different mesophases were found depending on the molecular structure and the length of the terminal alkyl chains: a rectangular columnar phase, a highly ordered low-temperature mesophase, and an antiferroelectric switchable fluid smectic mesophase designated as SmCPA. The influence of the molecular structure on the occurrence of the SmCPA phase was investigated. The spontaneous polarization of these molecules is quite high (P-S = 500-700 nC cm(-2)) and specially those molecules with long alkyl chains and short bent-core structures have low melting points and broad regions of this switchable mesophase. Furthermore, first examples of antiferroelectric switchable bent-core molecules with semifluorinated terminal chains will be described.

  DOI：

  10.1021/ja993572w
• 作为产物：
  描述：

  在 吡啶 、 chromium(VI) oxide 、 溶剂黄146 作用下， 反应 10.0h， 生成 4-[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzoyloxy]benzoic acid
  参考文献：
  名称：

  Molecular Design of Nonchiral Bent-Core Liquid Crystals with Antiferroelectric Properties

  摘要：

  Novel bent-core (banana-shaped) liquid crystals without Schiff-base units have been synthesized and investigated by polarized light optical microscopy, differential scanning calorimetry, X-ray scattering, and electrooptical investigations. These molecules are 4-(4-alkylbenzoyloxy)benzoates and 4-(4-alkoxybenzoyloxy)benzoates of resorcinol, 3,4'-dihydroxybiphenyl, and 4,4"-dihydroxy-1,1':3',1"-terphenyl. Three different mesophases were found depending on the molecular structure and the length of the terminal alkyl chains: a rectangular columnar phase, a highly ordered low-temperature mesophase, and an antiferroelectric switchable fluid smectic mesophase designated as SmCPA. The influence of the molecular structure on the occurrence of the SmCPA phase was investigated. The spontaneous polarization of these molecules is quite high (P-S = 500-700 nC cm(-2)) and specially those molecules with long alkyl chains and short bent-core structures have low melting points and broad regions of this switchable mesophase. Furthermore, first examples of antiferroelectric switchable bent-core molecules with semifluorinated terminal chains will be described.

  DOI：

  10.1021/ja993572w