2,6-Diphenyl-benzo<1,2-d:4,5-d'>bis-thiazol | 13399-13-8

• 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: 2,6-Diphenyl-benzo<1,2-d:4,5-d'>bis-thiazol
• 英文别名: 2,6-Diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
• CAS: 13399-13-8
• 化学式: C₂₀H₁₂N₂S₂
• 分子量: 344.461
• InChiKey: XIPYVHOURNPDRD-UHFFFAOYSA-N

物化性质

• 熔点：
  235 °C(Solv: acetic acid (64-19-7))
• 沸点：
  553.4±60.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-diamino-1,4-benzenedithiol dihydrochloride 在 氧气 作用下， 以 氘代氯仿 、 乙醇 为溶剂， 反应 60.5h， 生成 2,6-Diphenyl-benzo<1,2-d:4,5-d'>bis-thiazol
  参考文献：
  名称：

  Kawamoto, Tatsuya; Konno, Takumi, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 379, p. 443 - 448

  摘要：

  DOI：

文献信息

• Second order nonlinear optical polyimides having benzobisthiazole-based pendant groups, and preparation of the same
  申请人：Hsu Tzu-Chien

  公开号：US20070001154A1

  公开（公告）日：2007-01-04

  Disclosed herein are second order nonlinear optic polyimide polymers comprising repeating units represented by the formula: wherein each of the substituents is given the definition as set forth in the Specification and Claims. Also disclosed are the preparation processes of these polymers, chromophore-forming compounds for synthesis of these polymers, and the intermediate polymers thereof. The second order nonlinear optic polyimide polymers of formula (I) may be used in the manufacture of electro-optic (EO) devices, such as electro-optic waveguide devices.

  本文披露了具有由以下公式表示的重复单元的二阶非线性光学聚酰亚胺聚合物：其中每个取代基的定义如规范和权利要求所述。还披露了这些聚合物的制备过程，用于合成这些聚合物的色团形成化合物以及其中间聚合物。公式（I）的二阶非线性光学聚酰亚胺聚合物可用于制造电光（EO）器件，例如电光波导器件。
• THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH
  申请人：Toyo Ink SC Holdings Co., Ltd.

  公开号：EP3902021A1

  公开（公告）日：2021-10-27

  A thermoelectric conversion material containing an electrically conductive material (A) and an organic compound (B) that are in a relationship satisfying the following formula (1): 0 eV ≤ | (HOMO of the organic compound (B)) - (HOMO of the electrically conductive material (A)) | ≤ 1.64 eV.

  一种热电转换材料，包含导电材料（A）和有机化合物（B），两者之间的关系满足下式（1）：0 eV ≤ | (有机化合物 (B) 的 HOMO) - (导电材料 (A) 的 HOMO)| ≤ 1.64 eV。
• Thermally Induced Cyclization of Electron-Rich N-Arylthiobenzamides to Benzothiazoles
  作者：Yvette Jackson、Oscene Barrett、Nadale Downer-Riley

  DOI：10.1055/s-0032-1316670

  日期：2012.8

  Heating N-(2-methoxyphenyl)benzenecarbothioamides in refluxing nitrobenzene for 24 hours gives the corresponding benzothiazoles with intramolecular ipso substitution of the orthomethoxy substituent. The thermal cyclization of various other N-arylthiobenzamides is also explored.
• A C–H Functionalization Protocol for the Direct Synthesis of Benzobisthiazole Derivatives
  作者：Jennifer L. Bon、Daijun Feng、Seth R. Marder、Simon B. Blakey

  DOI：10.1021/jo501416j

  日期：2014.8.15

  Benzobisthiazole and thiazolothiazole derivatives are useful components in a variety of organic electronics devices resulting from their absorption, electroluminescence, and charge-transport properties. A convenient synthesis of these molecules via palladium/copper cocatalyzed C-H bond functionalization is described. Reaction conditions were optimized in a bromobenzene/benzobisthiazole system that allowed for the one-pot functionalization of both thioimidate positions of benzobisthiazole. The extension of this methodology to the synthesis of cruciform architectures and the functionalization of thiazolothiazole is also described.
• COMPOUND, LIGHT EMITTER, AND ORGANIC LIGHT EMITTING DEVICE
  申请人：KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION

  公开号：US20160005978A1

  公开（公告）日：2016-01-07

  A compound represented by D-A-D is useful as a light emitter for an organic electroluminescent device: