difluoro[5-[3-hexylthiophen-2-yl]-1-[[5-[3-hexylthiophen-2-yl]-3-(2-methoxyphenyl)-2H-isoindole-1-yl]methylene]-3-(2-methoxyphenyl)-1H-isoindolate-N1,N2]boron | 1329997-38-7

• 英文名称: difluoro[5-[3-hexylthiophen-2-yl]-1-[[5-[3-hexylthiophen-2-yl]-3-(2-methoxyphenyl)-2H-isoindole-1-yl]methylene]-3-(2-methoxyphenyl)-1H-isoindolate-N1,N2]boron
• CAS: 1329997-38-7
• 化学式: C₅₁H₅₁BF₂N₂O₂S₂
• 分子量: 836.918
• InChiKey: PHAQCSBGNAEGPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  difluoro[5-[3-hexylthiophen-2-yl]-1-[[5-[3-hexylthiophen-2-yl]-3-(2-methoxyphenyl)-2H-isoindole-1-yl]methylene]-3-(2-methoxyphenyl)-1H-isoindolate-N1,N2]boron 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以53%的产率得到boron chelated 5-[3-hexylthiophen-2-yl]-1-[[5-[3-hexylthiophen-2-yl]-3-(2-hydroxyphenyl)-2H-isoindole-1-yl] methylene]-3-(2-hydroxyphenyl)-1H-isoindole
  参考文献：
  名称：

  Near-Infrared Absorbing Boron-dibenzopyrromethenes that Serve As Light-Harvesting Sensitizers for Polymeric Solar Cells

  摘要：

  Hexylthiophene-conjugated boron-dibenzopyrromethenes with benzo[1,3,2]oxazaborinine rings, 1, that absorb near-infrared light with relatively high molecular extinction coefficients have been synthesized. The incorporation of 3-hexylthiophene-conjugated dye 1a at a blend ratio of 5 wt % into a polymeric solar cell based on a P3HT/indene-C-70 bisadduct (IC(70)BA) bulk heterojunction structure Improved power conversion efficiency from 3.7 to 4.3%. The present work suggests that well-defined near-infrared absorbing BODIPY analogues can potentially be used as photosensitizers in polymeric solar cells.

  DOI：

  10.1021/ol201770g
• 作为产物：
  描述：

  1-(4-bromo-2-(2-methoxybenzoyl)phenyl)ethanone 在 四(三苯基膦)钯 、 三氟化硼乙醚 、 potassium carbonate 、 Ammonium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 148.0h， 生成 difluoro[5-[3-hexylthiophen-2-yl]-1-[[5-[3-hexylthiophen-2-yl]-3-(2-methoxyphenyl)-2H-isoindole-1-yl]methylene]-3-(2-methoxyphenyl)-1H-isoindolate-N1,N2]boron
  参考文献：
  名称：

  Near-Infrared Absorbing Boron-dibenzopyrromethenes that Serve As Light-Harvesting Sensitizers for Polymeric Solar Cells

  摘要：

  Hexylthiophene-conjugated boron-dibenzopyrromethenes with benzo[1,3,2]oxazaborinine rings, 1, that absorb near-infrared light with relatively high molecular extinction coefficients have been synthesized. The incorporation of 3-hexylthiophene-conjugated dye 1a at a blend ratio of 5 wt % into a polymeric solar cell based on a P3HT/indene-C-70 bisadduct (IC(70)BA) bulk heterojunction structure Improved power conversion efficiency from 3.7 to 4.3%. The present work suggests that well-defined near-infrared absorbing BODIPY analogues can potentially be used as photosensitizers in polymeric solar cells.

  DOI：

  10.1021/ol201770g