2,5-bis(3-octylthiophen-2-yl)thiazolo[5,4-d]thiazole | 1246518-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,5-bis(3-octylthiophen-2-yl)thiazolo[5,4-d]thiazole
• 英文别名: 2,5-Bis(3-octylthiophen-2-yl)thiazolo [5,4-d]thiazole；2,5-bis(3-octylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
• CAS: 1246518-79-5
• 化学式: C₂₈H₃₈N₂S₄
• 分子量: 530.887
• InChiKey: ZIDQAARCVLMGNR-UHFFFAOYSA-N

物化性质

• 沸点：
  643.9±65.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  34
• 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-bis(3-octylthiophen-2-yl)thiazolo[5,4-d]thiazole 在 哌啶 、 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 potassium carbonate 、 三氯氧磷 作用下， 以 四氢呋喃 、 氯仿 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 47.33h， 生成 3-(5-(5-(5-(4-(bis(4-butoxyphenyl)amino)phenyl)-3-octylthiophen-2-yl)thiazolo[5,4-d]thiazol-2-yl)-4-octylthiophen-2-yl)-2-cyanoacrylic acid
  参考文献：
  名称：

  Novel Thiazolo[5,4-d]thiazole-Based Organic Dyes for Quasi-Solid-State Dye-Sensitized Solar Cells

  摘要：

  AbstractA series of novel metal‐free organic dyes containing the thiazolo[5,4‐d]thiazole moiety were designed and synthesized for quasi‐solid‐state dye‐sensitized solar cells (DSSCs). Different alkoxy chains were introduced into the electron donor part of the dye molecules for comparison. The optical, electrochemical, and photovoltaic properties for all sensitizers were systematically investigated. It was found that the sensitizers with the different alkoxy groups have similar photophysical and electrochemical properties, such as absorbance and energy levels, owing to their close chemical structures. However, the quasi‐solid‐state DSSCs based on the resulting sensitizers exhibit different performance parameters. The quasi‐solid‐state DSSC based on sensitizer FNE74 with two octyloxy chains possessed the highest solar energy conversion efficiency of 5.10 % under standard AM 1.5G sunlight illumination without the use of coadsorbant agents.

  DOI：

  10.1002/asia.201201202
• 作为产物：
  描述：

  二硫代乙酰胺 、 3-辛基-2-噻吩甲醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以38%的产率得到2,5-bis(3-octylthiophen-2-yl)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

• THIAZOLOTHIAZOLE DERIVATIVE
  申请人：HORIBA Koji

  公开号：US20100137611A1

  公开（公告）日：2010-06-03

  A thiazolothiazole derivative is represented by the following Formula (I). In Formula (I), each R 1 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 R 2 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.

  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。
• 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：EP2233488B1

  公开（公告）日：2011-01-12
• US7812172B2
  申请人：——

  公开号：US7812172B2

  公开（公告）日：2010-10-12
• US8263972B2
  申请人：——

  公开号：US8263972B2

  公开（公告）日：2012-09-11