(E)-2-cyano-2-(5,5-dimethyl-3-((E)-2-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)vinyl)cyclohex-2-enylidene)acetic acid | 1353003-54-9

• 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-(5,5-dimethyl-3-((E)-2-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)vinyl)cyclohex-2-enylidene)acetic acid
• 英文别名: (2E)-2-cyano-2-[5,5-dimethyl-3-[(E)-2-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)ethenyl]cyclohex-2-en-1-ylidene]acetic acid
• CAS: 1353003-54-9
• 化学式: C₂₆H₃₂N₂O₂
• 分子量: 404.552
• InChiKey: VXLCQEHACMSBNJ-CMPZHUGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  64.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯胺 在 哌啶 、 氢气 、 对甲苯磺酸 、 lithium hydroxide 、 三氯氧磷 作用下， 以 乙醇 、 环己烷 、 水 、 乙腈 、 苯 为溶剂， 20.0~120.0 ℃ 、1.0 MPa 条件下， 反应 24.0h， 生成 (E)-2-cyano-2-(5,5-dimethyl-3-((E)-2-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)vinyl)cyclohex-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.