4,5,6,7-tetramethylbenzothiophene | 174839-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,5,6,7-tetramethylbenzothiophene
• 英文别名: 4,5,6,7-Tetramethyl benzothiophene；4,5,6,7-tetramethyl-1-benzothiophene
• CAS: 174839-79-3
• 化学式: C₁₂H₁₄S
• 分子量: 190.309
• InChiKey: UHKPTYBXHCERDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetramethylbenzothiophene 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 生成 2-(4,5,6,7-tetramethylbenzothiophen-2-yl)-3-(thien-2-yl)but-2-ene
  参考文献：
  名称：

  Thiaheterohelicenes. 2. Synthesis of Alkylated Thiaheterohelicenes.

  摘要：

  The alkylated thiaheterohelicenes 1,2,3,4,6,7,9,10,11,12-decamethyl-5,8-dithia[5]helicene 1 and 6,7,9,10,12,13-hexamethyl-5,8,11,14-tetrathia[9]helicene 2 have been prepared by oxidative photolysis of 1,2-diaryl-substituted ethenes. The symmetrical ethenes used in the procedures were prepared by McMurry coupling. Unsymmetrical tetrasubstituted ethenes were obtained by nucleophilic addition of lithium arylates to 3-arylbutan-2-one and dehydration.

  DOI：

  10.3891/acta.chem.scand.50-0077
• 作为产物：
  描述：

  2,3,4,5-tetramethylphenyl 2,2-dimethoxyethyl sulfide 在 PPA 作用下， 180.0 ℃ 、1.33 kPa 条件下， 反应 0.33h， 以80%的产率得到4,5,6,7-tetramethylbenzothiophene
  参考文献：
  名称：

  Thiaheterohelicenes. 2. Synthesis of Alkylated Thiaheterohelicenes.

  摘要：

  The alkylated thiaheterohelicenes 1,2,3,4,6,7,9,10,11,12-decamethyl-5,8-dithia[5]helicene 1 and 6,7,9,10,12,13-hexamethyl-5,8,11,14-tetrathia[9]helicene 2 have been prepared by oxidative photolysis of 1,2-diaryl-substituted ethenes. The symmetrical ethenes used in the procedures were prepared by McMurry coupling. Unsymmetrical tetrasubstituted ethenes were obtained by nucleophilic addition of lithium arylates to 3-arylbutan-2-one and dehydration.

  DOI：

  10.3891/acta.chem.scand.50-0077

文献信息

• LIQUID CRYSTAL COMPOSITION
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170335191A1

  公开（公告）日：2017-11-23

  A liquid crystal composition which prevents production of an alignment defect of a liquid crystal compound and also has excellent storage stability during dissolution in a solvent is provided. The liquid crystal composition is suitable for constituting a retardation film capable of favorable circular polarization conversion. The liquid crystal composition includes a polymerizable liquid crystal compound having 3 or more ring structures in the main chain, and aluminum. A content of the aluminum is 1 ppm or more and 170 ppm or less relative to the polymerizable liquid crystal compound.

  提供了一种液晶组合物，可以防止液晶化合物的对准缺陷产生，并且在溶剂中溶解时具有优异的储存稳定性。该液晶组合物适用于构成具有良好圆偏振转换的减速膜。该液晶组合物包括具有3个或更多环结构的可聚合液晶化合物和铝。铝的含量相对于可聚合液晶化合物为1 ppm或更多，170 ppm或更少。
• Liquid crystal composition
  申请人：Sumitomo Chemical Company, Limited

  公开号：US10336938B2

  公开（公告）日：2019-07-02

  A liquid crystal composition containing a polymerizable liquid crystal compound (A) having 5 or more ring structures in its main chain and a polymer (B) of the polymerizable liquid crystal compound (A) having 5 or more ring structures in its main chain, which inhibits occurrence of an orientation defect of a liquid crystal compound and exhibits excellent storage stability when dissolved in a solvent is provided.

  本发明提供了一种液晶组合物，其中含有主链上具有 5 个或更多环状结构的可聚合液晶化合物（A）和主链上具有 5 个或更多环状结构的可聚合液晶化合物（A）的聚合物（B），该组合物能抑制液晶化合物取向缺陷的发生，并在溶解于溶剂中时表现出优异的储存稳定性。
• Liquid crystal composition, method of producing the same, and retardation film constituted from the same
  申请人：Sumitomo Chemical Company, Limited

  公开号：US11193065B2

  公开（公告）日：2021-12-07

  A liquid crystal composition is provided containing a polymerizable liquid crystal compound, the composition having high preservation stability when dissolved in a solvent and also having the ability to restrain the development of orientation defects of the liquid crystal compound. A method of producing such a liquid crystal composition is also provided with ease. The liquid crystal composition includes a first polymerizable liquid crystal compound having five or more ring structures on its principal chain and represented by the following formula (A) and a second polymerizable liquid crystal compound having five or more ring structures and represented by the following formula (B).

  提供了一种含有可聚合液晶化合物的液晶组合物，该组合物溶解在溶剂中时具有很高的保存稳定性，还能抑制液晶化合物取向缺陷的发展。此外，还提供了一种生产这种液晶组合物的简便方法。该液晶组合物包括主链上具有五个或五个以上环结构并由下式（A）表示的第一种可聚合液晶化合物和具有五个或五个以上环结构并由下式（B）表示的第二种可聚合液晶化合物。
• LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170117491A1

  公开（公告）日：2017-04-27

  A light emitting device includes an anode, a cathode, and first and second organic layers disposed between the anode and the cathode. The first organic layer is a layer obtained by using a composition including a compound represented by the formula (H-A) and a metal complex represented by the formula (1). The second organic layer is a layer obtained by using a polymer compound including a constitutional unit having a cross-linkable group. wherein the atoms, groups and rings in formulas (H-A) and (1) are defined in the specification.
• LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170306234A1

  公开（公告）日：2017-10-26

  A liquid crystal composition is provided containing a polymerizable liquid crystal compound, the composition having high preservation stability when dissolved in a solvent and also having the ability to restrain the development of orientation defects of the liquid crystal compound. A method of producing such a liquid crystal composition is also provided with ease. The liquid crystal composition includes a first polymerizable liquid crystal compound having five or more ring structures on its principal chain and represented by the following formula (A) and a second polymerizable liquid crystal compound having five or more ring structures and represented by the following formula (B).