| 1614225-50-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1614225-50-1
• 化学式: C₁₄H₂₄O₂
• 分子量: 224.343
• InChiKey: MSVGTCVCFZLAMZ-CJDUFDDJSA-N

物化性质

• 沸点：
  294.3±9.0 °C(predicted)
• 密度：
  0.963±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  16.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  磷酰基乙酸三乙酯 、 4-丙基环己烷-1-甲醛 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 2.0h， 生成 、
  参考文献：
  名称：

  The influence of vicinal threo-difluorination on electro-optic and mesogenic properties of propyleneoxy-linked nematic liquid crystals

  摘要：

  A protocol for the preparation of a series of liquid crystals is presented, where the structures carry a central propyleneoxy motif carrying two vicinal threo-C-F bonds. The negative dielectric anisotropy (-Delta epsilon) of the resultant liquid crystals has been explored. The stereoelectronic relationship between the vicinal C-F bonds was anticipated to orientate the fluorine atoms gauche to each other when the propylene chain is extended. This is shown to be the case. This orientation of the C-F bonds generates a net dipole perpendicular to the molecular axis, a prerequisite for the design of dielectrically negative liquid crystals. However the molecules adopt a conformation where one C-F bond reinforces the net molecular dipole, and the other has a counter effect, thus the introduction of the motif has an almost neutral effect on dielectric anisotropy (Delta epsilon(virt)) of these candidate liquid crystals. However, introduction of the difluoro motif raises the melting points of the liquid crystals and increases their conformational rigidity. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.05.027