[4-[4-[(2S)-2-methylbutoxy]phenyl]phenyl] 2,3,4-trifluorobenzoate | 1213228-68-2

• 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-[(2S)-2-methylbutoxy]phenyl]phenyl] 2,3,4-trifluorobenzoate
• CAS: 1213228-68-2
• 化学式: C₂₄H₂₁F₃O₃
• 分子量: 414.424
• InChiKey: ZCXYNNWZTWDPCN-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  4-hydroxy-4'-((S)-2-methylbutoxy)biphenyl 、 2,3,4-三氟苯甲酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 [4-[4-[(2S)-2-methylbutoxy]phenyl]phenyl] 2,3,4-trifluorobenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Some Chiral Fluorinated Benzoates

  摘要：

  One series of chiral fluorinated benzoates have been synthesized. These compounds were characterized by IR, 1H NMR, 19F NMR, MS, and elemental analysis. Their phase transition behavior was investigated by DSC and polarizing optical microscopy. Generally, they show an enantiotropic SmA phase. The effect of lateral and terminal fluoro-substitution was studied in this series.

  DOI：

  10.1080/15421400802406455

文献信息

• Synthesis and Mesomorphic Properties of Some Chiral Fluorinated Benzoates
  作者：Yongmin Guo、Baozong Li、Yonggang Yang、Jianxun Wen

  DOI：10.1080/15421400802406455

  日期：2008.10.27

  One series of chiral fluorinated benzoates have been synthesized. These compounds were characterized by IR, 1H NMR, 19F NMR, MS, and elemental analysis. Their phase transition behavior was investigated by DSC and polarizing optical microscopy. Generally, they show an enantiotropic SmA phase. The effect of lateral and terminal fluoro-substitution was studied in this series.