5-(7-(4-(diphenylamino)phenyl)-2-hexyl-2H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)furan-2-carbaldehyde | 1610352-01-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-(7-(4-(diphenylamino)phenyl)-2-hexyl-2H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)furan-2-carbaldehyde
• CAS: 1610352-01-6
• 化学式: C₃₄H₃₁N₅O₂
• 分子量: 541.652
• InChiKey: AHBKJJJGADEYMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.62
• 重原子数：
  41.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77.05
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-(7-(4-(diphenylamino)phenyl)-2-hexyl-2H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)furan-2-carbaldehyde 、 氰乙酸 在 ammonium acetate 、 溶剂黄146 作用下， 反应 3.0h， 以62%的产率得到2-cyano-3-(5-(7-(4-(diphenylamino)phenyl)-2-hexyl-2H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)furan-2-yl)acrylic acid
  参考文献：
  名称：

  Incorporating a New 2H-[1,2,3]Triazolo[4,5-c]pyridine Moiety To Construct D–A−π–A Organic Sensitizers for High Performance Solar Cells

  摘要：

  Two new organic dyes (PTN1 and NPT1) of the configuration D-A-pi-A, based on 2H-[1,2,3]triazolo[4,5-c]-pyridine (PT) as a central linker, have been synthesized and used as the sensitizers for dye-sensitized solar cells. Compared with pyridal[2,1,3]thiadiazole-containing congeners, the new dyes have conversion efficiencies nearly 1 order higher due to alleviation of charge trapping. The best conversion efficiency of the cell reaches 6.05% (under AM 1.5G irradiation). Upon addition of the coadsorbent CDCA, the efficiency is boosted to 6.76%, which reaches similar to 90% of the standard based on N719.

  DOI：

  10.1021/ol501163b
• 作为产物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 5-(7-(4-(diphenylamino)phenyl)-2-hexyl-2H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)furan-2-carbaldehyde
  参考文献：
  名称：

  Incorporating a New 2H-[1,2,3]Triazolo[4,5-c]pyridine Moiety To Construct D–A−π–A Organic Sensitizers for High Performance Solar Cells

  摘要：

  Two new organic dyes (PTN1 and NPT1) of the configuration D-A-pi-A, based on 2H-[1,2,3]triazolo[4,5-c]-pyridine (PT) as a central linker, have been synthesized and used as the sensitizers for dye-sensitized solar cells. Compared with pyridal[2,1,3]thiadiazole-containing congeners, the new dyes have conversion efficiencies nearly 1 order higher due to alleviation of charge trapping. The best conversion efficiency of the cell reaches 6.05% (under AM 1.5G irradiation). Upon addition of the coadsorbent CDCA, the efficiency is boosted to 6.76%, which reaches similar to 90% of the standard based on N719.

  DOI：

  10.1021/ol501163b