(E)-2-cyano-2-(3-((E)-2-(5-(2,4-dihexyl-1,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)vinyl)-5,5-dimethylcyclohex-2-enylidene)acetic acid | 1353003-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (E)-2-cyano-2-(3-((E)-2-(5-(2,4-dihexyl-1,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)vinyl)-5,5-dimethylcyclohex-2-enylidene)acetic acid
• 英文别名: (2E)-2-cyano-2-[3-[(E)-2-[5-(2,4-dihexyl-1,2-dimethyl-3,4-dihydroquinolin-6-yl)thiophen-2-yl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetic acid
• CAS: 1353003-57-2
• 化学式: C₄₀H₅₄N₂O₂S
• 分子量: 626.947
• InChiKey: JJSGFTMEORKGSJ-IXSYQAQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methyl-2,4-dihexyl-1,2-dihydroquinoline 在 哌啶 、 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 氢气 、 potassium carbonate 、 lithium hydroxide 、 三氯氧磷 作用下， 以 四氯化碳 、 乙二醇二甲醚 、 乙醇 、 水 、 乙腈 、 苯 为溶剂， 20.0~120.0 ℃ 、1.0 MPa 条件下， 反应 34.0h， 生成 (E)-2-cyano-2-(3-((E)-2-(5-(2,4-dihexyl-1,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)vinyl)-5,5-dimethylcyclohex-2-enylidene)acetic acid
  参考文献：
  名称：

  Engineering of highly efficient tetrahydroquinoline sensitizers for dye-sensitized solar cells

  摘要：

  Four novel tetrahydroquinoline dyes by inserting isophorone and/or thiophene moieties as pi bridge between the electron donating unit of substituted tetrahydroquinoline and the electron withdrawing unit of cyano carboxylic acid have been synthesized and successfully applied to dye-sensitized solar cells. Among them, DSCs sensitized by HYTIC, which shows the simplest molecular structure, exhibit improved efficiency of 7.0%. This by now is the highest efficiency for the reported tetrahydroquinoline sensitizers and comparable to the performance of N719-sensitized solar cells under the conditions employed here. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.004

文献信息

• Engineering of highly efficient tetrahydroquinoline sensitizers for dye-sensitized solar cells
  作者：Yan Hao、Xichuan Yang、Jiayan Cong、Anders Hagfeldt、Licheng Sun

  DOI：10.1016/j.tet.2011.11.004

  日期：2012.1

  Four novel tetrahydroquinoline dyes by inserting isophorone and/or thiophene moieties as pi bridge between the electron donating unit of substituted tetrahydroquinoline and the electron withdrawing unit of cyano carboxylic acid have been synthesized and successfully applied to dye-sensitized solar cells. Among them, DSCs sensitized by HYTIC, which shows the simplest molecular structure, exhibit improved efficiency of 7.0%. This by now is the highest efficiency for the reported tetrahydroquinoline sensitizers and comparable to the performance of N719-sensitized solar cells under the conditions employed here. (C) 2011 Elsevier Ltd. All rights reserved.