2-cyano-3-{4-[1-phenyl-2-(1-phenyl-3-propoxy-1,2,3,4-tetrahydroquinolin-6-methy-lene)hydrazinyl]phenyl}acrylic acid | 1564287-82-6

• 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: 2-cyano-3-{4-[1-phenyl-2-(1-phenyl-3-propoxy-1,2,3,4-tetrahydroquinolin-6-methy-lene)hydrazinyl]phenyl}acrylic acid
• CAS: 1564287-82-6
• 化学式: C₃₅H₃₂N₄O₃
• 分子量: 556.664
• InChiKey: JKOSJQJNTJEUSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.34
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  89.16
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-phenyl-3-propoxy-1,2,3,4-tetrahydroquinoline-6-carbaldehyde 在 ammonium acetate 、 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 12.0h， 生成 2-cyano-3-{4-[1-phenyl-2-(1-phenyl-3-propoxy-1,2,3,4-tetrahydroquinolin-6-methy-lene)hydrazinyl]phenyl}acrylic acid
  参考文献：
  名称：

  A structural study of 1-phenyl-1,2,3,4-tetrahydroquinoline-based dyes for solid-state DSSC applications

  摘要：

  D-pi-A architecture metal-free organic dyes, with a tetrahydroquinoline unit as electron donor, were designed and synthesized for solid-state dye-sensitized solar cells. The sensitizer series was designed to develop a structure-property relationship. These dyes are obtained from relatively cheap starting materials, without the use of expensive catalysts, rigorously anhydrous or oxygen-free conditions. The highest solid-state device conversion efficiency (eta) 33% (J(SC) = -5.9 mA cm(-2), V-OC = 780 mV) and fill factor FF = 0.72 under 100 mW cm(-2) (AM 1.5G) solar irradiation was achieved with dye D4 employing a hydrazone fragment as the spacer between the donor 3-alkoxy-1-phenyl-1,2,3,4-tetrahydroquinoline and the rhodanine acceptor of the sensitizer. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.01.010