4-n-Octadecyloxy-1-benzyloxybenzol | 67399-91-1

• 英文名称: 4-n-Octadecyloxy-1-benzyloxybenzol
• 英文别名: 1-octadecoxy-4-phenylmethoxybenzene
• CAS: 67399-91-1
• 化学式: C₃₁H₄₈O₂
• 分子量: 452.721
• InChiKey: PNUGRACIVVAUAH-UHFFFAOYSA-N

物化性质

• 沸点：
  554.6±25.0 °C(Predicted)
• 密度：
  0.945±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.91
• 重原子数：
  33.0
• 可旋转键数：
  21.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-n-Octadecyloxy-1-benzyloxybenzol 在 4-二甲氨基吡啶 、 palladium on activated charcoal 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-oxo-7-trifluoromethyl-2H-chromene-3carboxylic acid 4-octadecyloxyphenyl ester
  参考文献：
  名称：

  Synthesis and Liquid Crystal Property of New Fluoro Coumarin Carboxylates

  摘要：

  New liquid crystalline 4-alkoxyphenyl-coumarin-3-carboxylates 6ae, 7ag, 8ae, and 9ae were prepared by reacting various coumarin-3-carboxylic acids 5ad with 4-(alkoxy) phenols 4ag in the presence of 1(3-dimethylaminopropyl-3-ethylcarbodiimide/dimethyl amino pyridine (EDCI/DMAP) as a coupling agent. The structures of the new coumarin derivatives were confirmed by spectral analysis and the liquid crystalline property was established by polarizing optical microscope and by differential scanning calorimetric techniques. The diethyl amine and morpholine were taken as electron-donating and CF3 as electron-withdrawing groups at the seventh position of the coumarin-3-carboxylic acids to check the mesomorphic property in all new 4-alkoxyphenyl-coumarin-3-carboxylates. Among them, only 4-alkoxyphenyl-7-triflouromethyl-coumarin-3-carboxylates 7ag exhibited liquid crystalline SmA phase.

  DOI：

  10.1080/15421406.2012.704824
• 作为产物：
  描述：

  对苯二酚 在 potassium carbonate 作用下， 以 丙酮 、 丁酮 为溶剂， 反应 11.0h， 生成 4-n-Octadecyloxy-1-benzyloxybenzol
  参考文献：
  名称：

  Synthesis and Liquid Crystal Property of New Fluoro Coumarin Carboxylates

  摘要：

  New liquid crystalline 4-alkoxyphenyl-coumarin-3-carboxylates 6ae, 7ag, 8ae, and 9ae were prepared by reacting various coumarin-3-carboxylic acids 5ad with 4-(alkoxy) phenols 4ag in the presence of 1(3-dimethylaminopropyl-3-ethylcarbodiimide/dimethyl amino pyridine (EDCI/DMAP) as a coupling agent. The structures of the new coumarin derivatives were confirmed by spectral analysis and the liquid crystalline property was established by polarizing optical microscope and by differential scanning calorimetric techniques. The diethyl amine and morpholine were taken as electron-donating and CF3 as electron-withdrawing groups at the seventh position of the coumarin-3-carboxylic acids to check the mesomorphic property in all new 4-alkoxyphenyl-coumarin-3-carboxylates. Among them, only 4-alkoxyphenyl-7-triflouromethyl-coumarin-3-carboxylates 7ag exhibited liquid crystalline SmA phase.

  DOI：

  10.1080/15421406.2012.704824

文献信息

• Reentrant SmCP_Aphases: unusual polymorphism variant SmA–SmC_SP_A–Col_ob–SmC_SP_Aobserved in new bent-core mesogens
  作者：H. N. Shreenivasa Murthy、M. Bodyagin、S. Diele、U. Baumeister、G. Pelzl、W. Weissflog

  DOI：10.1039/b516189d

  日期：——

  A new homologous series of achiral five-ring bent-core mesogens is presented. The mesophase behaviour has been studied by polarizing microscopy, differential scanning calorimetry, X-ray diffraction and electro-optical measurements. The homologues with shorter terminal chains (C8, C12) form an SmCPA phase, homologues with longer chains (C14, C16, C18) show liquid-crystalline tetramorphism with a sequence SmA–SmCSPA–Colob–SmCSPA. The SmCPA phases are structurally identical and differ only in the mechanism of polar switching. The switching of the high-temperature SmCSPA phase takes place through the collective rotation of the molecules around their long axes whereas in the reentrant SmCSPA phase the switching is based on the director rotation around the tilt cone. By the application of an electric field the Colob phase can be irreversibly transformed to an SmCPA phase. In a limited temperature range the SmA phase shows a reversible field-induced transition into the SmCSPF phase. The electro-optical response of the mesophases is discussed on the basis of the structural features of these phases.

  本文介绍了一种新的非手性五环弯核介质同源系列。研究人员通过偏振显微镜、差示扫描量热法、X 射线衍射和电光测量等方法对介相行为进行了研究。具有较短末端链（C8、C12）的同系物形成 SmCPA 相，而具有较长末端链（C14、C16、C18）的同系物则显示出液晶四态性，其序列为 SmAâSmCSPAâColobâSmCSPA。SmCPA 相的结构完全相同，只是在极性切换机制上有所不同。高温 SmCSPA 相的切换是通过分子绕其长轴的集体旋转实现的，而在再入射 SmCSPA 相中，切换则是基于绕倾斜锥的定向旋转。通过施加电场，Colob 相可以不可逆地转变为 SmCPA 相。在有限的温度范围内，SmA 相在电场的诱导下可逆地转变为 SmCSPF 相。根据这些相的结构特征讨论了介相的电光响应。