1-bromo-4-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]benzene | 389573-07-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-bromo-4-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]benzene
• CAS: 389573-07-3
• 化学式: C₂₁H₂₃BrF₂
• 分子量: 393.314
• InChiKey: OAFKCHBANATPCI-QZQOTICOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-4-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]benzene 、 4-n-Nonyl-2,3-difluorophenyl boronic acid 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 4'-[(E)-1,2-Difluoro-2-(4-heptyl-phenyl)-vinyl]-2,3-difluoro-4-nonyl-biphenyl
  参考文献：
  名称：

  Trans−1,2-Difluorostilbenes: Promising Materials for High Dielectric Biaxiality Ferroelectric Mixtures

  摘要：

  A range of two- and three-ring liquid crystals have been synthesised that incorporate a trans-1,2-difluoroethene linking group. Some of the materials have surprisingly low melting points and high smectic C phase stability, and they exhibit the ideal phase sequence for ferroelectric hosts of smectic C to smectic A to nematic. The synthesis was accomplished in a convergent manner through the use of low-temperature lithiations to generate organometallics based on boron and tin. Palladium-catalysed cross-couplings and Michael-type reactions were used to generate the final mesogenic materials. The polar fluoro substituents enable the generation of ferroelectric mixtures with a high dielectric biaxiality which is very important in tauV minimum driving schemes. The alkenic linking group in stilbenes normally confers instability, but the difluoro-substituted analogues are stable compounds.

  DOI：

  10.1080/10587250108025062
• 作为产物：
  描述：

  4-正庚基溴苯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 1-bromo-4-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]benzene
  参考文献：
  名称：

  Trans−1,2-Difluorostilbenes: Promising Materials for High Dielectric Biaxiality Ferroelectric Mixtures

  摘要：

  A range of two- and three-ring liquid crystals have been synthesised that incorporate a trans-1,2-difluoroethene linking group. Some of the materials have surprisingly low melting points and high smectic C phase stability, and they exhibit the ideal phase sequence for ferroelectric hosts of smectic C to smectic A to nematic. The synthesis was accomplished in a convergent manner through the use of low-temperature lithiations to generate organometallics based on boron and tin. Palladium-catalysed cross-couplings and Michael-type reactions were used to generate the final mesogenic materials. The polar fluoro substituents enable the generation of ferroelectric mixtures with a high dielectric biaxiality which is very important in tauV minimum driving schemes. The alkenic linking group in stilbenes normally confers instability, but the difluoro-substituted analogues are stable compounds.

  DOI：

  10.1080/10587250108025062