6-Bromo-2-(4'-heptyloxyphenyl)benzothiazole | 188485-26-9

• 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: 6-Bromo-2-(4'-heptyloxyphenyl)benzothiazole
• 英文别名: 6-bromo-2-(4-heptoxyphenyl)-1,3-benzothiazole
• CAS: 188485-26-9
• 化学式: C₂₀H₂₂BrNOS
• 分子量: 404.371
• InChiKey: CFLQBZWGMGNWIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-Bromo-2-(4'-heptyloxyphenyl)benzothiazole 、 1-丁烷硫醇钠 在 1,3-二甲基-2-咪唑啉酮 作用下， 生成 7O-PBT-S4
  参考文献：
  名称：

  Charge Carrier Transport Properties in Liquid Crystalline 2-Phenylbenzothiazole Derivatives

  摘要：

  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.

  DOI：

  10.1080/15421400903069384
• 作为产物：
  描述：

  4-正庚氧基苯胺甲醛 、 2-氨基-5-溴苯硫醇 以 二甲基亚砜 为溶剂， 生成 6-Bromo-2-(4'-heptyloxyphenyl)benzothiazole
  参考文献：
  名称：

  Charge Carrier Transport Properties in Liquid Crystalline 2-Phenylbenzothiazole Derivatives

  摘要：

  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.

  DOI：

  10.1080/15421400903069384

文献信息

• Liquid crystalline organic compound, organic semiconductor structure, organic semiconductor device, and process for producing liquid crystalline organic compound
  申请人：Tokunaga Keiji

  公开号：US20060231832A1

  公开（公告）日：2006-10-19

  A liquid crystalline organic compound which gives a liquid crystal phase in a temperature range containing at least a room temperature and can exhibit a high charge mobility; an organic semiconductor structure and an organic semiconductor device each having the liquid crystalline organic compound are provided. The liquid crystalline organic compound contains any one of benzothiazole, benzoselenazole, benzoxazole and indene skeletons represented by the following chemical formula 1: wherein A is a nitrogen atom or a CH group, and B is a sulfur, selenium or oxygen atom is contained as Z1 in the following chemical formula 2: R1-Y1-Z1-Y2-R2   2 wherein, R1 and R2 are each independently a saturated or unsaturated hydrocarbon of a straight chain, a branched chain or a cyclic structure having 1 to 22 carbon atoms; R1 and R2 may be each independently bonded directly to Z1 without interposing Y1 or Y2 therebetween; and Y1 and Y2 are each independently selected from the group consisting of oxygen and selenium atoms and —CO—, —OCO—, —COO—, —N═CH—, —CONH—, —NH—, —NHCOO and —CH 2 groups.

  提供一种液晶有机化合物，其在包含至少室温的温度范围内形成液晶相，并可以表现出高电荷迁移率；提供一种含有该液晶有机化合物的有机半导体结构和有机半导体器件。该液晶有机化合物包含以下化学式1所表示的苯并噻唑、苯并硒唑、苯并噁唑和茚烯骨架中的任何一种：其中，A为氮原子或CH基，B为硫、硒或氧原子，作为Z1包含在以下化学式2中：R1-Y1-Z1-Y2-R2  2其中，R1和R2各自独立地为1到22个碳原子的直链、支链或环状结构的饱和或不饱和碳氢化合物；R1和R2可以各自独立地直接与Z1键合，而不需要在它们之间插入Y1或Y2；Y1和Y2各自独立地从氧和硒原子以及—CO—、—OCO—、—COO—、—N═CH—、—CONH—、—NH—、—NHCOO和—CH2基中选出。
• Liquid crystalline compound and use thereof
  申请人：DAI NIPPON PRINTING CO., LTD.

  公开号：EP0763532A2

  公开（公告）日：1997-03-19

  A process for producing a liquid crystalline compound represented by the following general formula (A):

  一种生产由以下通式(A)代表的液晶化合物的工艺：
• US5766510A
  申请人：——

  公开号：US5766510A

  公开（公告）日：1998-06-16
• US5980779A
  申请人：——

  公开号：US5980779A

  公开（公告）日：1999-11-09
• 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.