3,3,3',3'-tetramethyl-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine | 1217896-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,3,3',3'-tetramethyl-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine
• 英文别名: 6-(3,3-Dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-6-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine；6-(3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-6-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
• CAS: 1217896-53-1
• 化学式: C₁₈H₂₂O₄S₂
• 分子量: 366.502
• InChiKey: WZMNNEJZMCFTNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  93.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3,3',3'-tetramethyl-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以82%的产率得到3,3,3',3'-tetramethyl-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine-8-carboxaldehyde
  参考文献：
  名称：

  Triphenylamine-Based Dyes Bearing Functionalized 3,4-Propylenedioxythiophene Linkers with Enhanced Performance for Dye-Sensitized Solar Cells

  摘要：

  Introduction of modified 3,4-propylenedioxythiophene units into triphenylamine-based dyes is found to enhance light capturing, suppress dye aggregation, and remarkably retard charge recombination in dye-sensitized solar cells. Open circuit voltages of the as-synthesized dyes (similar to 800 mV) are much higher than that with a thiophene congener (720 mV) under similar conditions as a result of self-passivation benefiting from their three-dimensional branched structures.

  DOI：

  10.1021/ol902973r
• 作为产物：
  描述：

  3,4-(2,2-二甲基丙烯二氧基)噻吩 在 正丁基锂 、 copper dichloride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 14.83h， 以38%的产率得到3,3,3',3'-tetramethyl-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine
  参考文献：
  名称：

  Triphenylamine-Based Dyes Bearing Functionalized 3,4-Propylenedioxythiophene Linkers with Enhanced Performance for Dye-Sensitized Solar Cells

  摘要：

  Introduction of modified 3,4-propylenedioxythiophene units into triphenylamine-based dyes is found to enhance light capturing, suppress dye aggregation, and remarkably retard charge recombination in dye-sensitized solar cells. Open circuit voltages of the as-synthesized dyes (similar to 800 mV) are much higher than that with a thiophene congener (720 mV) under similar conditions as a result of self-passivation benefiting from their three-dimensional branched structures.

  DOI：

  10.1021/ol902973r

文献信息

• Triphenylamine-Based Dyes Bearing Functionalized 3,4-Propylenedioxythiophene Linkers with Enhanced Performance for Dye-Sensitized Solar Cells
  作者：Yanliang Liang、Bo Peng、Jing Liang、Zhanliang Tao、Jun Chen

  DOI：10.1021/ol902973r

  日期：2010.3.19

  Introduction of modified 3,4-propylenedioxythiophene units into triphenylamine-based dyes is found to enhance light capturing, suppress dye aggregation, and remarkably retard charge recombination in dye-sensitized solar cells. Open circuit voltages of the as-synthesized dyes (similar to 800 mV) are much higher than that with a thiophene congener (720 mV) under similar conditions as a result of self-passivation benefiting from their three-dimensional branched structures.