Dimethyl 1,3-dibromo-2-benzothiophene-5,6-dicarboxylate | 1374450-74-4

• 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: Dimethyl 1,3-dibromo-2-benzothiophene-5,6-dicarboxylate
• CAS: 1374450-74-4
• 化学式: C₁₂H₈Br₂O₄S
• 分子量: 408.067
• InChiKey: NNVFPRNSUGIPNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Dimethyl 2-benzothiophene-5,6-dicarboxylate 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 Dimethyl 1,3-dibromo-2-benzothiophene-5,6-dicarboxylate
  参考文献：
  名称：

  Functionalized Isothianaphthene Monomers That Promote Quinoidal Character in Donor–Acceptor Copolymers for Organic Photovoltaics

  摘要：

  A series of low band gap isothianaphthene-based (ITN) polymers with various electron-withdrawing substituents and intrinsic quinoidal character were synthesized, characterized, and tested in organic photovoltaic (OPV) devices. The three investigated ITN cores contained either ester, imide, or nitrile functionalities and were each synthesized in only four linear steps. The relative electron-withdrawing strength of the three substituents on the ITN moiety was evaluated and correlated to the optical and electronic properties of ITN-based copolymers. The ester- and imide-containing p-type polymers reached device efficiencies as high as 3% in bulk heterojunction blends with phenyl C-61-butyric acid methyl ester (PC61BM), while the significantly electron-deficient nitrile-functionalized polymer behaved as an n-type material with an efficiency of 0.3% in bilayer devices with poly(3-(4-n-octyl)phenylthiophene) (POPT).

  DOI：

  10.1021/ma300589k