5,6-dihydrodithieno[3,2-b:2′,3′-d]thiepine | 1048653-08-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5,6-dihydrodithieno[3,2-b:2′,3′-d]thiepine
• 英文别名: 5,6-dihydrothieno[3,2-b:2',3'-d]thiepine；dithieno[3,2-b;2',3'-d]-5,6-dihydrothiepine；DPE；3,7,13-Trithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
• CAS: 1048653-08-2
• 化学式: C₁₀H₈S₃
• 分子量: 224.372
• InChiKey: RPUSMVULKCHVCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-dihydrodithieno[3,2-b:2′,3′-d]thiepine 在 四(三苯基膦)钯 、 正丁基锂 、 potassium carbonate 、 三氯氧磷 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 反应 36.0h， 生成 (5-(4-(N,N-bis(4-hexyloxyphenyl)amino)phenyl)dithieno[3,2-b:2′,3′-d]thiepine)-5′-yl-carbaldehyde
  参考文献：
  名称：

  Synthesis of organic dye containing an alkylenesulfanyl-bridged bithienyl π-linker and its use in dye-sensitized solar cells

  摘要：

  The synthesis and photovoltaic characteristics of a new organic dye, CU-L2, which has a unique and flexible alkylenesulfanyl-bridged bithienyl bridging framework between the phenylamino donor unit and cyanoacrylic acceptor unit, were demonstrated. CU-L2 exhibited better photovoltaic performance, with an enhanced photocurrent due to the redshifted optical absorption and reduced interfacial recombination, as compared to CU-L1, with its rigid dithienothiophene bridging motif between the same donor and acceptor units. The dye-sensitized solar cell fabricated with CU-L2 under optimized processing conditions presented a high power conversion efficiency of 6.63%. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2013.10.016
• 作为产物：
  描述：

  3-(2-bromoethyl)-3'-methylsulfanyl-[2,2']bithiophene 以 甲苯 为溶剂， 以100%的产率得到5,6-dihydrodithieno[3,2-b:2′,3′-d]thiepine
  参考文献：
  名称：

  Alkylenesulfanyl-Bridged Bithienyl Cores for Simultaneous Tuning of Electronic, Filming, and Thermal Properties of Oligothiophenes

  摘要：

  DPY and DPE alkylenesulfanyl-bridged bithienyls were prepared by a highly effective ring-closing reaction via arylalkylsulfonium intermediate and used as inner cores in oligothiophenes. HOMO-LUMO energy levels, conformational flexibility, and intrinsic asymmetry of the cores are reflected in the electronic, film-forming, and thermal properties of the corresponding oligomers.

  DOI：

  10.1021/ol801261r