2,5-di(5-bromo-3-n-octanyl-2-thienyl)thiazolo[5,4-d]thiazole | 1246518-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2,5-di(5-bromo-3-n-octanyl-2-thienyl)thiazolo[5,4-d]thiazole
• 英文别名: 2,5-di(5-bromo-3-octaneyl-2-thienyl)thiazolo[5,4-d]thiazole；2,5-di(5-bromo-3-n-octyl-2-thienyl)thiazolo[5,4-d]thiazole；2,5-di(5-bromo-3-octyl-2-thienyl)thiazolo[5,4-d]thiazole；2,5-Bis(5-bromo-3-n-octylthiophene-2-yl)-thiazolo [5,4-d]thiazole；2,5-bis(5-bromo-3-octylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
• CAS: 1246518-80-8
• 化学式: C₂₈H₃₆Br₂N₂S₄
• 分子量: 688.679
• InChiKey: APRQUXVAWZUBDV-UHFFFAOYSA-N

物化性质

• 沸点：
  704.7±70.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  36
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,5-di(5-bromo-3-n-octanyl-2-thienyl)thiazolo[5,4-d]thiazole 、 4-N-辛基苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 11.0h， 以30%的产率得到2,5-Bis[3-octyl-5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
  参考文献：
  名称：

  THIAZOLOTHIAZOLE DERIVATIVE

  摘要：

  一种噻唑噻唑衍生物由以下化学式（I）表示。在化学式（I）中，每个R1独立地代表具有3到20个碳原子的直链烷基基团，具有3到20个碳原子的直链烷氧基团，具有3到20个碳原子的支链烷基基团，或具有3到20个碳原子的支链烷氧基团；每个R2独立地代表氢原子，具有1到20个碳原子的直链烷基基团，具有1到20个碳原子的直链烷氧基团，具有3到20个碳原子的支链烷基基团，或具有3到20个碳原子的支链烷氧基团。

  公开号：

  US20100137611A1
• 作为产物：
  描述：

  2,5-bis(3-octylthiophen-2-yl)thiazolo[5,4-d]thiazole 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以76%的产率得到2,5-di(5-bromo-3-n-octanyl-2-thienyl)thiazolo[5,4-d]thiazole
  参考文献：
  名称：

  THIAZOLOTHIAZOLE DERIVATIVE

  摘要：

  一种噻唑噻唑衍生物由以下化学式（I）表示。在化学式（I）中，每个R1独立地代表具有3到20个碳原子的直链烷基基团，具有3到20个碳原子的直链烷氧基团，具有3到20个碳原子的支链烷基基团，或具有3到20个碳原子的支链烷氧基团；每个R2独立地代表氢原子，具有1到20个碳原子的直链烷基基团，具有1到20个碳原子的直链烷氧基团，具有3到20个碳原子的支链烷基基团，或具有3到20个碳原子的支链烷氧基团。

  公开号：

  US20100137611A1

文献信息

• ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM
  申请人：IMAI Akira

  公开号：US20100276672A1

  公开（公告）日：2010-11-04

  An organic electroluminescent device includes: a pair of electrodes including a positive electrode and a negative electrode, at least one of the electrodes being transparent or semi-transparent; and an organic compound layer including one or more layers interposed between the pair of electrodes, at least one layer included in the organic compound layer containing one or more compounds represented by the following formula (I): in formula (I), R 1 s each independently representing a linear alkyl, linear alkoxy, branched alkyl, or branched alkoxy group having from 3 to 20 carbon atoms; and R 2 s each independently representing a hydrogen atom, a linear alkyl group having from 1 to 20 carbon atoms, a linear alkoxy group having from 1 to 20 carbon atoms, a branched alkyl group having from 3 to 20 carbon atoms, or a branched alkoxy group having from 3 to 20 carbon atoms.

  一种有机电致发光器件包括：一对电极，包括一个正电极和一个负电极，其中至少一个电极是透明或半透明的；以及一个有机化合物层，包括夹在一对电极之间的一个或多个层，有机化合物层中至少包含一个含有一个或多个以下式(I)所代表的化合物的层：在式(I)中，R1分别独立地表示具有3至20个碳原子的直链烷基，直链烷氧基，支链烷基或支链烷氧基；R2分别独立地表示氢原子，具有1至20个碳原子的直链烷基，具有1至20个碳原子的直链烷氧基，具有3至20个碳原子的支链烷基，或具有3至20个碳原子的支链烷氧基。
• THIAZOLOTHIAZOLE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME
  申请人：Fuji Xerox Co., Ltd.

  公开号：EP2233488A1

  公开（公告）日：2010-09-29

  A thiazolothiazole derivative is represented by the following Formula (I). In Formula (I), each R1 independently represents a straight chain alkyl group having 3 to 20 carbon atoms, a straight chain alkoxy group having 3 to 20 carbon atoms, a branched alkyl group having 3 to 20 carbon atoms, or a branched alkoxy group having 3 to 20 carbon atoms; and each R2 independently represents a hydrogen atom, a straight chain alkyl group having 1 to 20 carbon atoms, a straight chain alkoxy group having 1 to 20 carbon atoms, a branched alkyl group having 3 to 20 carbon atoms, or a branched alkoxy group having 3 to 20 carbon atoms.

  噻唑噻唑衍生物由下式(I)表示。在式（I）中，每个 R1 独立地代表具有 3 至 20 个碳原子的直链烷基、具有 3 至 20 个碳原子的直链烷氧基、具有 3 至 20 个碳原子的支链烷基或具有 3 至 20 个碳原子的支链烷氧基；每个 R2 独立地代表氢原子、具有 1 至 20 个碳原子的直链烷基、具有 1 至 20 个碳原子的直链烷氧基、具有 3 至 20 个碳原子的支链烷基或具有 3 至 20 个碳原子的支链烷氧基。
• CO-POLYMER OF 2,7-CARBAZOLE AND DITHIENYL THIAZOLOTHIAZOLE, AND METHOD FOR PREPARING SAME AND SOLAR BATTERY CONTAINING SAME
  申请人：Ocean's King Lighting Science & Technology Co., Ltd

  公开号：EP2787019A1

  公开（公告）日：2014-10-08

  Provided are a co-polymer of formula (I) of 2,7 -carbazole and dithienyl thiazolothiazole, a method for preparing same, and a solar battery containing same. The structural formula of the co-polymer of 2,7 -carbazole and dithienyl thiazolothiazole is as shown by formula (I), wherein both R1 and R2 are C1-C20 alkyl groups, and n is an integer of 10-100. The co-polymer of the present invention has a novel structure, a good dissolving property, an excellent film-forming property, and a high power conversion efficiency, and can be used as the material for a solar battery. Also provided are the method for preparing the co-polymer and the solar battery containing same. The preparation method uses raw materials widely available and has a simple synthesis route.

  本发明提供了一种 2，7-咔唑和二噻吩基噻唑的式 (I) 共聚物、其制备方法以及含有该共聚物的太阳能电池。2,7 -咔唑和二噻吩基噻唑的共聚物的结构式如式（I）所示，其中 R1 和 R2 均为 C1-C20 烷基，n 为 10-100 的整数。本发明的共聚物结构新颖、溶解性好、成膜性优异、功率转换效率高，可用作太阳能电池的材料。本发明还提供了共聚物的制备方法和含有共聚物的太阳能电池。该制备方法使用的原材料来源广泛，合成路线简单。
• Thiazolothiazole Donor–Acceptor Conjugated Polymer Semiconductors for Photovoltaic Applications
  作者：Selvam Subramaniyan、Hao Xin、Felix Sunjoo Kim、Nishit M. Murari、Brett A. E. Courtright、Samson A. Jenekhe

  DOI：10.1021/ma500250j

  日期：2014.7.8

  A series of eight new donor-acceptor conjugated copolymers based on thiazolo[5,4-d]thiazole (TT) were synthesized by Suzuki and Stile polycondensations, and their optical, electronic structure, field-effect charge transport, and photovoltaic properties were investigated. The number-average molecular weight was moderate to high (20-103 kDa) for four of the new copolymers and low (<10 kDa) for the rest. The optical band gap (1.7-2.2 eV) and the ionization potential (4.9-5.7 eV) of the copolymers could be tuned by varying the strength of the electron-donating comonomers. X-ray diffraction analysis of the neat TT polymer thin films showed that they exhibit a lamellar crystalline morphology with a (100) d-spacing of 1.449-1.881 nm. The polymers had field-effect hole mobilities of 2 X 10(-3)-3 X 10(-2) cm(2)/(V s). Although fullerene (PC71BM)-based bulk heterojunction solar cells showed that most of the new polymers had low photovoltaic power conversion efficiency (<2.4%), the standout polymer PDEHTT had a high efficiency of 5.7%. X-ray diffraction analysis and TEM imaging of PDEHTT/PC71BM blend films showed a bicontinuous nanoscale morphology with a crystalline polymer nanofiber (15-20 nm width) network.
• US7812172B2
  申请人：——

  公开号：US7812172B2

  公开（公告）日：2010-10-12