[4-(4'-n-pentyloxyphenyl)acetylenyl]phenyl 3-fluorobenzoate

• 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'-n-pentyloxyphenyl)acetylenyl]phenyl 3-fluorobenzoate
• 英文别名: [4-[2-(4-Pentoxyphenyl)ethynyl]phenyl] 3-fluorobenzoate；[4-[2-(4-pentoxyphenyl)ethynyl]phenyl] 3-fluorobenzoate
• 化学式: C₂₆H₂₃FO₃
• 分子量: 402.465
• InChiKey: KADFSWBERGEHAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间氟苯甲酸 在 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 N,N'-二环己基碳二亚胺 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 [4-(4'-n-pentyloxyphenyl)acetylenyl]phenyl 3-fluorobenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Fluoro-Substituted Benzoates

  摘要：

  Several series of fluoro-substituted benzoate liquid crystals have been synthesized. The results showed that the SmA phase is enhanced with the increasing of the degree of fluoro-substitution on the para- and meta-postion of the terminal phenyl groups. And the molecules which have same molecular structural formula show nearly the same melting points. It is also discussed about the effect of the eater bond's direction on the mesomorphic properties.

  DOI：

  10.1080/10587250008024803

文献信息

• Synthesis and Mesomorphic Properties of Some Fluoro-Substituted Benzoates
  作者：Y. G. Yang、G. Tang、Z. Gong、J. X. Wen

  DOI：10.1080/10587250008024803

  日期：2000.8.1

  Several series of fluoro-substituted benzoate liquid crystals have been synthesized. The results showed that the SmA phase is enhanced with the increasing of the degree of fluoro-substitution on the para- and meta-postion of the terminal phenyl groups. And the molecules which have same molecular structural formula show nearly the same melting points. It is also discussed about the effect of the eater bond's direction on the mesomorphic properties.