2-(4'-octyloxyphenyl)-6-butoxybenzothiazole | 139927-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(4'-octyloxyphenyl)-6-butoxybenzothiazole
• 英文别名: 8O-PBT-O4；6-Butoxy-2-(4-octoxyphenyl)-1,3-benzothiazole
• CAS: 139927-63-2
• 化学式: C₂₅H₃₃NO₂S
• 分子量: 411.609
• InChiKey: GYSXXCUPLHXIPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-辛氧基苯甲醛 、 2-氨基-5-丁氧基苯硫醇 以 二甲基亚砜 为溶剂， 以72%的产率得到2-(4'-octyloxyphenyl)-6-butoxybenzothiazole
  参考文献：
  名称：

  One-Dimensional to Three-Dimensional Electronic Conduction in Liquid Crystalline Mesophases

  摘要：

  We have established the electronic conduction in the nematic phase of a small molecule of a 2-phenylbenzothiazole derivative, i.e., 2-(4'-octyloxyphenyl)-6-butoxybenzothiazole (8O-PBT-O4). This gives a new insight into the quest for the electronic conduction in liquid crystals, which was initiated by Kusabayashi and Labes in late 1960s and had succeeded over several decades, leading it to the end. In addition, it is clarified that the ionic conduction often observed in less ordered mesophases is induced with trace amounts of chemical impurities due to its low viscosity. The present result indicates that the charge carrier transport in the mesophase is electronic in its intrinsic nature irrespective of mesophases and molecular sizes, i.e., 1D-electronic conduction in columnar phase, 2D-electronic conduction in smectic mesophases, and 3D-electronic conduction in the nematic phase.

  DOI：

  10.1080/15421400903069459

文献信息

• Charge Carrier Transport Properties in Liquid Crystalline 2-Phenylbenzothiazole Derivatives
  作者：Keiji Tokunaga、Hiroaki Iino、Jun-ichi Hanna

  DOI：10.1080/15421400903069384

  日期：2009.9.14

  We synthesized liquid crystalline 2-phenylbenzothiazole derivatives and investigated their charge carrier transport properties by time-of-flight experiments. These materials show less ordered phases such as smectic A, smectic C, and nematic phases at temperature range lower than 100 degrees C, and their mobility was relatively small, from 10-5cm2/Vs to 10-4cm2/Vs. In addition, the mobility depends on temperature, while it did not depend on electric fields. According to these results, we estimated the eneregy distribution of density of states responsible for condition, sigma of Gaussian width, to be 78118meV.
• One-Dimensional to Three-Dimensional Electronic Conduction in Liquid Crystalline Mesophases
  作者：Keiji Tokunaga、Yukiko Takayashiki、Hiroaki Iino、Jun-ichi Hanna

  DOI：10.1080/15421400903069459

  日期：2009.9.14

  We have established the electronic conduction in the nematic phase of a small molecule of a 2-phenylbenzothiazole derivative, i.e., 2-(4'-octyloxyphenyl)-6-butoxybenzothiazole (8O-PBT-O4). This gives a new insight into the quest for the electronic conduction in liquid crystals, which was initiated by Kusabayashi and Labes in late 1960s and had succeeded over several decades, leading it to the end. In addition, it is clarified that the ionic conduction often observed in less ordered mesophases is induced with trace amounts of chemical impurities due to its low viscosity. The present result indicates that the charge carrier transport in the mesophase is electronic in its intrinsic nature irrespective of mesophases and molecular sizes, i.e., 1D-electronic conduction in columnar phase, 2D-electronic conduction in smectic mesophases, and 3D-electronic conduction in the nematic phase.