7-(4-(dimethylamino)phenyl)-4,4,9,9-tetra-p-tolyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2-carbaldehyde | 1310058-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-(4-(dimethylamino)phenyl)-4,4,9,9-tetra-p-tolyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2-carbaldehyde
• CAS: 1310058-44-6
• 化学式: C₅₃H₄₃NOS₂
• 分子量: 774.063
• InChiKey: ONZDPLYYLNYZLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.31
• 重原子数：
  57.0
• 可旋转键数：
  7.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-(4-(dimethylamino)phenyl)-4,4,9,9-tetra-p-tolyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2-carbaldehyde 、 氰乙酸 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以46%的产率得到2-cyano-3-(7-(4-(dimethylamino)phenyl)-4,4,9,9-tetra-p-tolyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophen-2-yl)acrylic acid
  参考文献：
  名称：

  Thiophene-fused coplanar sensitizer for dye-sensitized solar cells

  摘要：

  We have designed and synthesized a novel ladder-type heteroacene dye consisting uniquely of thiophene segments as a photosensitizer for the dye-sensitized solar cells (DSSCs). The onset of the IPCE spectrum for the dye not only reaches up to 700 nm with a high IPCE (>60%) but also a solar energy-to-electricity conversion efficiency of 2.31% is achieved. Even though the efficiency is slightly lower than those of other dyes reported previously, this work opens up a new strategy to design heteroaromatic fused photosensitizers for DSSCs. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.091
• 作为产物：
  描述：

  4-(N,N-二甲氨基)苯硼酸频那醇酯 在 四(三苯基膦)钯 、 potassium carbonate 、 三氯氧磷 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 7-(4-(dimethylamino)phenyl)-4,4,9,9-tetra-p-tolyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2-carbaldehyde
  参考文献：
  名称：

  Thiophene-fused coplanar sensitizer for dye-sensitized solar cells

  摘要：

  We have designed and synthesized a novel ladder-type heteroacene dye consisting uniquely of thiophene segments as a photosensitizer for the dye-sensitized solar cells (DSSCs). The onset of the IPCE spectrum for the dye not only reaches up to 700 nm with a high IPCE (>60%) but also a solar energy-to-electricity conversion efficiency of 2.31% is achieved. Even though the efficiency is slightly lower than those of other dyes reported previously, this work opens up a new strategy to design heteroaromatic fused photosensitizers for DSSCs. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.091