5-ethylthiophene-2,3-dicarboxaldehyde | 947295-69-4

• 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: 5-ethylthiophene-2,3-dicarboxaldehyde
• 英文别名: 5-ethylthiophene-2,3-dicarbaldehyde
• CAS: 947295-69-4
• 化学式: C₈H₈O₂S
• 分子量: 168.216
• InChiKey: RCOZTDPVHDDKIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-ethylthiophene-2,3-dicarboxaldehyde 、 (triethylsilyl)ethynyl lithium 、 1,4-环己二酮 在 氢氧化钾 、 硫酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 20.0h， 生成 2-[7,17-Diethyl-12-(2-triethylsilylethynyl)-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl-triethylsilane 、 2-[7,17-Diethyl-2-(2-triethylsilylethynyl)-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,16,19-nonaen-12-yl]ethynyl-triethylsilane
  参考文献：
  名称：

  Efficient Solution-Processed Photovoltaic Cells Based on an Anthradithiophene/Fullerene Blend

  摘要：

  We report photovoltaic cells based on solution-processed blends using a novel anthradithiophene derivative as the donor and a fullerene derivative as the acceptor. Solvent vapor annealing of these blends leads to the formation of spherulites, which consist of a network of anthradithiophene crystallites dispersed in an amorphous matrix composed primarily of fullerene. We observe a direct correlation between coverage of a device with spherulites and its performance. Devices with 82% spherulite coverage reach a power conversion efficiency of 1%, which makes them one of the highest performing solution-processed small molecule photovoltaic cells to date.

  DOI：

  10.1021/ja072147x
• 作为产物：
  描述：

  2,3-bis(1,3-dioxolan-2-yl)thiophene 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 5-ethylthiophene-2,3-dicarboxaldehyde
  参考文献：
  名称：

  Efficient Solution-Processed Photovoltaic Cells Based on an Anthradithiophene/Fullerene Blend

  摘要：

  We report photovoltaic cells based on solution-processed blends using a novel anthradithiophene derivative as the donor and a fullerene derivative as the acceptor. Solvent vapor annealing of these blends leads to the formation of spherulites, which consist of a network of anthradithiophene crystallites dispersed in an amorphous matrix composed primarily of fullerene. We observe a direct correlation between coverage of a device with spherulites and its performance. Devices with 82% spherulite coverage reach a power conversion efficiency of 1%, which makes them one of the highest performing solution-processed small molecule photovoltaic cells to date.

  DOI：

  10.1021/ja072147x