(E)-3-(4-(4-(4-(diphenylamino)phenyl)-6-(dimethyl-amino)-1,3,5-triazin-2-yl)phenyl)-2-cyanoacrylic acid | 1342231-16-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-3-(4-(4-(4-(diphenylamino)phenyl)-6-(dimethyl-amino)-1,3,5-triazin-2-yl)phenyl)-2-cyanoacrylic acid
• 英文别名: (E)-2-cyano-3-[4-[4-(dimethylamino)-6-[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]phenyl]prop-2-enoic acid
• CAS: 1342231-16-6
• 化学式: C₃₃H₂₆N₆O₂
• 分子量: 538.608
• InChiKey: BJTIPRVTZRJVFA-YYADALCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl)-benzaldehyde 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 ammonium acetate 、 potassium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 17.0h， 生成 (E)-3-(4-(4-(4-(diphenylamino)phenyl)-6-(dimethyl-amino)-1,3,5-triazin-2-yl)phenyl)-2-cyanoacrylic acid
  参考文献：
  名称：

  Synthesis and photovoltaic performances of donor–π–acceptor dyes utilizing 1,3,5-triazine as π spacers

  摘要：

  A series of new-type of donor-pi-acceptor dyes (TCT-1-6) utilizing 1,3,5-triazine as pi spacers were synthesized. These dyes were characterized by H-1 NMR, ESI-MS, EA, and X-ray crystallography. Their photovoltaic performances were also investigated. An overall photon-to-electron conversion efficiency of 1.8% was achieved with the DSSC based on the dye TCT-1(J(sc) = 3.33 mA/cm(2), V-oc = 757 mV, FF = 71.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.116

文献信息

• Synthesis and photovoltaic performances of donor–π–acceptor dyes utilizing 1,3,5-triazine as π spacers
  作者：Jian Liu、Kai Wang、Feng Xu、Zekun Tang、Wei Zheng、Jiyuan Zhang、Chenghui Li、Tao Yu、Xiaozeng You

  DOI：10.1016/j.tetlet.2011.09.116

  日期：2011.11

  A series of new-type of donor-pi-acceptor dyes (TCT-1-6) utilizing 1,3,5-triazine as pi spacers were synthesized. These dyes were characterized by H-1 NMR, ESI-MS, EA, and X-ray crystallography. Their photovoltaic performances were also investigated. An overall photon-to-electron conversion efficiency of 1.8% was achieved with the DSSC based on the dye TCT-1(J(sc) = 3.33 mA/cm(2), V-oc = 757 mV, FF = 71.8%) under AM 1.5G illumination (100 mW/cm(2)). (C) 2011 Elsevier Ltd. All rights reserved.