7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) | 593286-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole)
• 英文别名: 7,7'-Dibromo-4,4'-bibenzo[c][1,2,5]thiadiazole；4-bromo-7-(4-bromo-2,1,3-benzothiadiazol-7-yl)-2,1,3-benzothiadiazole
• CAS: 593286-88-5
• 化学式: C₁₂H₄Br₂N₄S₂
• 分子量: 428.131
• InChiKey: WGOLUHPSVBILFW-UHFFFAOYSA-N

物化性质

• 沸点：
  529.1±45.0 °C(Predicted)
• 密度：
  2.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) 在 四(三苯基膦)钯 作用下， 以 氯仿 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  新型二吡啶基苯并噻二唑和双苯并噻二唑衍生物的合成与表征

  摘要：

  使用Stille偶联反应合成了含有单和双苯并噻二唑单元的新型二吡啶基化合物。它们的吡啶鎓盐，紫精类似物，也通过N-烷基化制备。含有苯并噻二唑环的化合物的X射线晶体学分析表明，取决于氮的位置，分子结构为非平面且晶体结构独特。二吡啶基化合物是具有高电子亲和力的有效荧光团。该衍生物提供了与由氢键网络组成的氯苯甲酸和氰尿酸的配合物。甲基紫精类似物显示出两级一电子还原波。

  DOI：

  10.1021/jo035800h
• 作为产物：
  描述：

  4,4'-bis(benzo[c][1,2,5]thiadiazole) 在 氢溴酸 、 溴 作用下， 以 水 为溶剂， 生成 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole)
  参考文献：
  名称：

  방향족융합고리 화합물 및 이를 이용한 유기 태양전지

  摘要：

  该发明提供了一种有机太阳能电池，其中包含方向环融合环化合物和上述方向环融合环化合物在光敏层中。

  公开号：

  KR101562426B1

文献信息

• [EN] DETECTION METHOD<br/>[FR] PROCÉDÉ DE DÉTECTION
  申请人：UNIV QUEENSLAND

  公开号：WO2019079860A1

  公开（公告）日：2019-05-02

  The present invention relates to an optical sensing element for detection of a narcotic, the optical sensing element comprising a fluorescent sensing compound provided on a substrate, wherein emission of the fluorescent sensing compound is quenched in the presence of the narcotic, and wherein the fluorescent sensing compound is non-polymeric and comprises an electron donor moiety, an electron acceptor moiety and a moiety that influences solubility of the compound in a solvent. Sensing devices incorporating the sensing element and methods of detecting narcotics are also described.

  本发明涉及一种用于检测麻醉品的光学传感元件，该光学传感元件包括在基底上提供的荧光传感化合物，其中在存在麻醉品的情况下，荧光传感化合物的发射被猝灭，荧光传感化合物是非聚合物的，并包括一个电子给体基团、一个电子受体基团和一个影响化合物在溶剂中溶解度的基团。还描述了包括传感元件的传感器装置和检测麻醉品的方法。
• A Simple Route toward the Synthesis of Bisbenzothiadiazole Derivatives
  作者：Piyush Anant、Nigel T. Lucas、Josemon Jacob

  DOI：10.1021/ol8022837

  日期：2008.12.18

  A simple and efficient route toward the synthesis of 4,4'-bis(2,1,3-benzothiadiazole) and 7,7'-dibromo-4,4'-bis(2,1,3-benzothiadiazole) has been developed. Oligomers were synthesized with bisbenzothiadiazole units either at the periphery or core, and each oligomer was characterized by X-ray crystallography. Both crystal structures display supramolecular interactions between the conjugated backbones, although the former, bearing two bisbenzothiadiazole units, has extended interactions within layers that engage all of the thiadiazole rings.
• Synthesis and characterization of donor–acceptor type 4,4′-bis(2,1,3-benzothiadiazole)-based copolymers
  作者：Piyush Anant、Hannah Mangold、Nigel T. Lucas、Frédéric Laquai、Josemon Jacob

  DOI：10.1016/j.polymer.2011.07.053

  日期：2011.9

  A series of novel donor acceptor type polymers based on 4,4'-bis(2,1,3-benzothiadiazole) were synthesized and characterized. Two soluble regioregular tail-to-tail and head-to-head coupled polymers, poly[7,7'-bis(3-octyl-2-thienyl)-4,4'-bis(2,1,3-benzothiadiazole)] poly[3TBB3T], and poly[7,7'-bis(4-octyl-2-thienyl)-4,4'-bis(2,1,3-benzothiadiazole)] poly[4TBB4T] were synthesized by FeCl3-mediated oxidative polymerization. To further decrease the band gap of the polymers, vinylene spacers were incorporated into the polymer backbone by Stille coupling of the corresponding monomers and (E)-1,2-bis(tributylstannyl)ethene. A crystal structure of a monomer analog shows near planar arrangement of the aromatic units in the solid state. The optical properties of the monomers and polymers were investigated by steady-state absorption and photoluminescence spectroscopy. Cyclic voltammetry measurements indicate that the polymers could be employed as acceptor materials in polymer polymer bulk heterojunction solar cells due to their low LUMO energy of about -4.0 eV. A maximum photovoltaic power conversion efficiency of about 0.3% was observed for a 1:1 blend of regioregular poly(3-hexylthiophene) (rr-P3HT) and poly[4TBB4T] and the origin of the moderate efficiency is discussed by interpreting the device current-voltage characteristics, external quantum efficiency and incident light intensity dependence of the power conversion efficiency. (C) 2011 Elsevier Ltd. All rights reserved.
• COPOLYMER COMPRISING ANTHRACENE AND BENZOSELENADIAZOLE, PREPARING METHOD AND USES THEREOF
  申请人：OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD.

  公开号：EP2562197B1

  公开（公告）日：2018-08-01
• DETECTION METHOD
  申请人：The University of Queensland

  公开号：EP3701249A1

  公开（公告）日：2020-09-02