(2,6-difluoro-4-bromophenol) 3,4,5-trifluorobenzoate | 464206-39-1

• 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: (2,6-difluoro-4-bromophenol) 3,4,5-trifluorobenzoate
• CAS: 464206-39-1
• 化学式: C₁₃H₄BrF₅O₂
• 分子量: 367.07
• InChiKey: NVBBJCMELZPXDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.36
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2,6-difluoro-4-bromophenol) 3,4,5-trifluorobenzoate 、 (4-hexadecyloxy)phenylacetylene 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 [2,6-Difluoro-4-[2-(4-hexadecoxyphenyl)ethynyl]phenyl] 3,4,5-trifluorobenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Fluorinated Benzoate Liquid Crystals

  摘要：

  Three series of [4-(4'-n-alkyloxyphenyl)acetylenyl]-2,6-difluorophenyl fluorinated benezoates and one series of fluorinated benzoates with 2,3,5,6-tetrafluorophenylene group and semi-perfluorocarbon chain have been synthesized. Their phase transition temperatures have been measured by texture observation in a polarizing microscope and confirmed by DSC. For the series without fluorocarbon chains, increasing the quantity of fluorosubstituents on the terminal phenyl groups decreased nematic stability (TN-1), but the breadth of the SmA phase range was increased. Lateral fluorosubstitution in the central group lowered the nematic stability (TN-1) and decreased the breadth of the SmA phase range. The series with semiperfluorocarbon chains were more likely to form SmA phases than the series with hydrogencarbon chains, and with the increasing of fluorosubstituents quantity on the terminal phenyl groups nematic and SmA stability (T(N-)1 and TSmA-N) were both decreased.

  DOI：

  10.1080/10587250210534
• 作为产物：
  描述：

  1,3-二氟苯 在 4-二甲氨基吡啶 、 正丁基锂 、 氢溴酸 、 双氧水 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醚 、 溶剂黄146 为溶剂， 反应 28.0h， 生成 (2,6-difluoro-4-bromophenol) 3,4,5-trifluorobenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Fluorinated Benzoate Liquid Crystals

  摘要：

  Three series of [4-(4'-n-alkyloxyphenyl)acetylenyl]-2,6-difluorophenyl fluorinated benezoates and one series of fluorinated benzoates with 2,3,5,6-tetrafluorophenylene group and semi-perfluorocarbon chain have been synthesized. Their phase transition temperatures have been measured by texture observation in a polarizing microscope and confirmed by DSC. For the series without fluorocarbon chains, increasing the quantity of fluorosubstituents on the terminal phenyl groups decreased nematic stability (TN-1), but the breadth of the SmA phase range was increased. Lateral fluorosubstitution in the central group lowered the nematic stability (TN-1) and decreased the breadth of the SmA phase range. The series with semiperfluorocarbon chains were more likely to form SmA phases than the series with hydrogencarbon chains, and with the increasing of fluorosubstituents quantity on the terminal phenyl groups nematic and SmA stability (T(N-)1 and TSmA-N) were both decreased.

  DOI：

  10.1080/10587250210534