2-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-6-bis(9,9-dimethylfluoren-2-yl)aminobenzofuran | 940893-12-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-6-bis(9,9-dimethylfluoren-2-yl)aminobenzofuran
• 英文别名: 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1-benzofuran-6-amine
• CAS: 940893-12-9
• 化学式: C₄₈H₄₃NO₃S
• 分子量: 713.94
• InChiKey: CDKZRBNEWIRYEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  53
• 可旋转键数：
  5
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-6-bis(9,9-dimethylfluoren-2-yl)aminobenzofuran 在 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以70%的产率得到2-(5-formylthiophen-2-yl)-6-bis(9,9-dimethylfluoren-2-yl)aminobenzofuran
  参考文献：
  名称：

  Synthesis and Photovoltaic Properties of Efficient Organic Dyes Containing the Benzo[b]furan Moiety for Solar Cells

  摘要：

  New organic dyes composed of the benzo[b]furan donor, thiophene-conjugated bridge, and cyano acrylic acid acceptor have been newly synthesized through the one-pot coupling cyclization key step. Nanocrystalline TiO2 dye-sensitized solar cell was fabricated using this dye. A solar-to-electric conversion efficiency of 6.65% and 4.70% is achieved with 1 and 2, respectively.

  DOI：

  10.1021/jo0625150
• 作为产物：
  描述：

  2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-dioxane 在 四(三苯基膦)钯 copper(l) iodide 、 18-冠醚-6 、 镍 、 铜 、 potassium carbonate 、 一水合肼 、 二乙胺 、 三乙胺 作用下， 以 甲醇 、 邻二氯苯 、 乙腈 为溶剂， 反应 69.0h， 生成 2-(5-(5,5-dimethyl-1,3-dioxan-2-yl)thiophen-2-yl)-6-bis(9,9-dimethylfluoren-2-yl)aminobenzofuran
  参考文献：
  名称：

  Synthesis and Photovoltaic Properties of Efficient Organic Dyes Containing the Benzo[b]furan Moiety for Solar Cells

  摘要：

  New organic dyes composed of the benzo[b]furan donor, thiophene-conjugated bridge, and cyano acrylic acid acceptor have been newly synthesized through the one-pot coupling cyclization key step. Nanocrystalline TiO2 dye-sensitized solar cell was fabricated using this dye. A solar-to-electric conversion efficiency of 6.65% and 4.70% is achieved with 1 and 2, respectively.

  DOI：

  10.1021/jo0625150

文献信息

• Dye for dye-sensitized solar cell, and solar cell prepared from same
  申请人：Lee Jae-Kwan

  公开号：US20070240756A1

  公开（公告）日：2007-10-18

  The present embodiments relate to a dye for a dye-sensitized solar cell and a dye-sensitized solar cell prepared from the same. The dye includes a fluorenyl-containing compound. The dye according to the present embodiments is applied to a light absorption layer to improve photovoltaic efficiency and increase an open-circuit voltage.
• US8653279B2
  申请人：——

  公开号：US8653279B2

  公开（公告）日：2014-02-18