4-(4-cyanophenyl)phenyl 4-octyloxy-2-{11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoyloxy}benzoate | 1209480-81-8

• 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: 4-(4-cyanophenyl)phenyl 4-octyloxy-2-{11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoyloxy}benzoate
• 英文别名: [4-(4-Cyanophenyl)phenyl] 2-[11-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]undecanoyloxy]-4-octoxybenzoate
• CAS: 1209480-81-8
• 化学式: C₆₃H₇₁F₂NO₆
• 分子量: 976.257
• InChiKey: AQSAMWOMQUGWSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.6
• 重原子数：
  72
• 可旋转键数：
  33
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  94.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 28.0h， 生成 4-(4-cyanophenyl)phenyl 4-octyloxy-2-{11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoyloxy}benzoate
  参考文献：
  名称：

  Structure-Property Relationships in Non-Chiral Liquid Crystal Oligomers Stabilizing Blue Phases

  摘要：

  We prepared 4-(4-cyanophenyl)phenyl 4-octyloxybenzoate derivatives possessing a laterally attached mesogen and investigated their phase transition behavior. They showed a wide temperature range of a nematic phase in spite of being far from a rod-like structure. Each oligomer was found to induce blue phases in the mixture with a conventional chiral smectic liquid crystal. A binary mixture of 4-(4-cyanophenyl)phenyl 4-octyloxy-2-}11-}4-[2-(4-hexyloxyphenypyrimidin-5-yl)phenyloxy]decanoyloxy}benzoate and the chiral compound exhibited a blue phase III with the temperature range of 21K on cooling.

  DOI：

  10.1080/15421400903065697