RPT-9 | 1354569-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: RPT-9
• 英文别名: 3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiophen-2-yl)-2-cyanoacrylic acid
• CAS: 1354569-66-6
• 化学式: C₂₆H₁₇NO₃S
• 分子量: 423.492
• InChiKey: TWRXHIPXOMWVLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.24
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.32
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiophene-2-carbaldehyde 、 氰乙酸 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以63%的产率得到RPT-9
  参考文献：
  名称：

  New D−π–A-Conjugated Organic Sensitizers Based on 4H-Pyran-4-ylidene Donors for Highly Efficient Dye-Sensitized Solar Cells

  摘要：

  We have synthesized a series of four new promising D-pi-A conjugated organic sensitizers with a proaromatic 4H-pyran-4-ylidene as a donor, a thiophene ring in the bridge, and 2-cyanoacrilic acid as acceptor. Comparison between different donor substituents and the modification of the thiophene ring resulted in molar extinction coefficients as high as 36399 M-1 cm(-1) at 551 nm. The photovoltaic properties of the DSSCs demonstrate power conversion efficiencies as high as 5.4%.

  DOI：

  10.1021/ol203298r