(E)-ethyl 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)acetate | 1353003-61-8

• 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)-ethyl 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)acetate
• CAS: 1353003-61-8
• 化学式: C₂₈H₃₆N₂O₂
• 分子量: 432.606
• InChiKey: PNKKBJLGTZYFBH-UVTLWLMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.33
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 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)acetate 在 lithium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 以55%的产率得到(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
• 作为产物：
  描述：

  氰乙酸乙酯 在 哌啶 、 ammonium acetate 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 (E)-ethyl 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)acetate
  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