[4-[2-(4-heptoxyphenyl)ethynyl]phenyl] (E)-3-(3,4,5-trifluorophenyl)prop-2-enoate | 1262884-77-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [4-[2-(4-heptoxyphenyl)ethynyl]phenyl] (E)-3-(3,4,5-trifluorophenyl)prop-2-enoate
• CAS: 1262884-77-4
• 化学式: C₃₀H₂₇F₃O₃
• 分子量: 492.538
• InChiKey: KDZZMOVDBXEPMQ-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4,5-三氟溴苯 在 哌啶 、 吡啶 、 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 碘 、 magnesium 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 43.5h， 生成 [4-[2-(4-heptoxyphenyl)ethynyl]phenyl] (E)-3-(3,4,5-trifluorophenyl)prop-2-enoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Tolane-Based Fluorinated Liquid Crystals with an Acrylate Linkage

  摘要：

  Six series of tolane-based fluorinated liquid crystals containing an acrylate linker were synthesized and their mesomorphic properties were characterized. The compounds generally exhibit SmA and N phases in wide temperature ranges. The introduction of acrylate linkers increases the clearing points by 20 degrees C-30 degrees C and suppresses the formation of higher ordered monotropic SmB phases. para-Fluorination is favorable for the mesophase stability, whereas meta-fluorination is not. The introduction of a 2,3,5,6-tetrafluorophenylene group decreases the clearing points and also suppresses the formation of the monotropic SmB phase.

  DOI：

  10.1080/15421406.2010.504638

文献信息

• Synthesis and Mesomorphic Properties of Tolane-Based Fluorinated Liquid Crystals with an Acrylate Linkage
  作者：Ximin Chen、Yuehai Shen、Jianxun Wen

  DOI：10.1080/15421406.2010.504638

  日期：2010.10.14

  Six series of tolane-based fluorinated liquid crystals containing an acrylate linker were synthesized and their mesomorphic properties were characterized. The compounds generally exhibit SmA and N phases in wide temperature ranges. The introduction of acrylate linkers increases the clearing points by 20 degrees C-30 degrees C and suppresses the formation of higher ordered monotropic SmB phases. para-Fluorination is favorable for the mesophase stability, whereas meta-fluorination is not. The introduction of a 2,3,5,6-tetrafluorophenylene group decreases the clearing points and also suppresses the formation of the monotropic SmB phase.