ethyl 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoate | 1209480-84-1

• 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: ethyl 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoate
• CAS: 1209480-84-1
• 化学式: C₃₇H₄₈F₂O₃
• 分子量: 578.783
• InChiKey: YWKLTOKIWAIUCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.87
• 重原子数：
  42.0
• 可旋转键数：
  20.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  11-溴代十一烷酸乙酯 、 2,3-difluoro-4-(4-hexylphenyl)-1-(4-hydroxyphenyl)benzene 在 potassium carbonate 作用下， 以 环己酮 为溶剂， 反应 9.0h， 以67%的产率得到ethyl 11-{4-[4-(4-hexylphenyl)-2,3-difluorophenyl]phenyloxy}undecanoate
  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