11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoic acid | 1209480-85-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoic acid
• CAS: 1209480-85-2
• 化学式: C₃₅H₄₄F₂O₃
• 分子量: 550.729
• InChiKey: ARBLJCUURWUKMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  40.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(4-cyanophenyl)phenyl 2-hydroxy-4-octyloxybenzoate 、 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以36%的产率得到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
• 作为产物：
  描述：

  ethyl 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoate 在 potassium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以82%的产率得到11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoic acid
  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