1-(4-Butoxyphenyl)-4-pentylbicyclo[2.2.2]octane | 98966-69-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-Butoxyphenyl)-4-pentylbicyclo[2.2.2]octane
• 英文别名: 1-(4-butoxyphenyl)-4-pentylbicyclo[2.2.2]octane
• CAS: 98966-69-9
• 化学式: C₂₃H₃₆O
• 分子量: 328.538
• InChiKey: YQHGUWHBMUYIIE-UHFFFAOYSA-N

物化性质

• 沸点：
  421.8±24.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-bromo-4-pentylbicyclo(2,2,2)-octane 生成 1-(4-Butoxyphenyl)-4-pentylbicyclo[2.2.2]octane
  参考文献：
  名称：

  Nematic Liquid Crystals with a Trifluoromethyl Group

  摘要：

  We have synthesised a new class of compounds incorporating a trifluoromethyl group in the terminal alkoxy or alkenyloxy chain. Compounds containing several aromatic rings were synthesised with a view to producing compounds of high birefringence. This also included the synthesis of compounds containing a carbon-carbon triple bond. Compounds with three 1,4-disubstituted rings were synthesised in order to produce materials with a high nematic clearing point and as low a melting point as possible. Laterally fluoro-substituted compounds were prepared to generate a high positive value of the dielectric anisotropy, a low melting point and no smectic mesophases. Substances containing a cyclohexyl ring, which tend to induce a lower viscosity and compounds incorporating a bicyclo[2.2.2]octane ring were also synthesised in order to produce a high nematic clearing point and to influence the elastic constants. The (E)-trifluorobut-2-enyloxy-compounds were prepared in attempts to produce compounds with appropriate elastic constants and a high birefringence.

  DOI：

  10.1080/10587250108025060

文献信息

• Carr, N.; Gray, G. W.; Kelly, S. M., Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 129, p. 301 - 314
  作者：Carr, N.、Gray, G. W.、Kelly, S. M.

  DOI：——

  日期：——
• Nematic Liquid Crystals with a Trifluoromethyl Group
  作者：Stephen M. Kelly、Graham Skelton、Cliff Jones、Vicki Minter、Rachel Tuffin

  DOI：10.1080/10587250108025060

  日期：2001.8

  We have synthesised a new class of compounds incorporating a trifluoromethyl group in the terminal alkoxy or alkenyloxy chain. Compounds containing several aromatic rings were synthesised with a view to producing compounds of high birefringence. This also included the synthesis of compounds containing a carbon-carbon triple bond. Compounds with three 1,4-disubstituted rings were synthesised in order to produce materials with a high nematic clearing point and as low a melting point as possible. Laterally fluoro-substituted compounds were prepared to generate a high positive value of the dielectric anisotropy, a low melting point and no smectic mesophases. Substances containing a cyclohexyl ring, which tend to induce a lower viscosity and compounds incorporating a bicyclo[2.2.2]octane ring were also synthesised in order to produce a high nematic clearing point and to influence the elastic constants. The (E)-trifluorobut-2-enyloxy-compounds were prepared in attempts to produce compounds with appropriate elastic constants and a high birefringence.