N,N-di(4-methoxyphenyl)-N-[4-[2-(pyren-2-yl)ethynyl]phenyl]amine | 1384935-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N-di(4-methoxyphenyl)-N-[4-[2-(pyren-2-yl)ethynyl]phenyl]amine
• 英文别名: N,N-bis(4-methoxyphenyl)-4-(2-pyren-2-ylethynyl)aniline
• CAS: 1384935-41-4
• 化学式: C₃₈H₂₇NO₂
• 分子量: 529.638
• InChiKey: VOSKLRJXDZUGTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-di(4-methoxyphenyl)-N-[4-[2-(pyren-2-yl)ethynyl]phenyl]amine 、 四苯基环戊二烯酮 以 二苯醚 为溶剂， 反应 168.0h， 以57%的产率得到1-(pyren-2-yl)-2-(4-(N,N-bis-4-methoxyphenyl)amine)-3,4,5,6-(tetraphenyl)benzene
  参考文献：
  名称：

  Charge-Transfer Interactions in a Multichromophoric Hexaarylbenzene Containing Pyrene and Triarylamines

  摘要：

  Two different hexaarylbenzenes with three pyrene and three triarylamine substituents in different positions (trigonal symmetric and asymmetric arrangement) were synthesized, and their charge-transfer states were investigated by optical spectroscopy. In these multichromophoric systems triarylamine acts as the electron donor and pyrene as the electron acceptor. A reference chromophore with only one donor-acceptor pair was also investigated. All these chromophores form chary-transfer states upon photoexcitation which relax with a moderate fluorescence quantum yield to the ground state. The compounds do not differ significantly concerning most of their fluorescence properties, which shows that the fluorescent charge-transfer state is very similar in all chromophores. This observation indicates symmetry breaking for the symmetric chromophore within fluorescence lifetime of several tens of ns. This interpretation was substantiated by fluorescence excitation anisotropy measurements in a sucrose octaacetate matrix.

  DOI：

  10.1021/jo300924x
• 作为产物：
  描述：

  2-氯芘 、 4-ethynyl-N,N-bis(4-methoxyphenyl)aniline 在 bis-triphenylphosphine-palladium(II) chloride 、 caesium carbonate 、 三叔丁基膦 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 0.25h， 以58%的产率得到N,N-di(4-methoxyphenyl)-N-[4-[2-(pyren-2-yl)ethynyl]phenyl]amine
  参考文献：
  名称：

  Charge-Transfer Interactions in a Multichromophoric Hexaarylbenzene Containing Pyrene and Triarylamines

  摘要：

  Two different hexaarylbenzenes with three pyrene and three triarylamine substituents in different positions (trigonal symmetric and asymmetric arrangement) were synthesized, and their charge-transfer states were investigated by optical spectroscopy. In these multichromophoric systems triarylamine acts as the electron donor and pyrene as the electron acceptor. A reference chromophore with only one donor-acceptor pair was also investigated. All these chromophores form chary-transfer states upon photoexcitation which relax with a moderate fluorescence quantum yield to the ground state. The compounds do not differ significantly concerning most of their fluorescence properties, which shows that the fluorescent charge-transfer state is very similar in all chromophores. This observation indicates symmetry breaking for the symmetric chromophore within fluorescence lifetime of several tens of ns. This interpretation was substantiated by fluorescence excitation anisotropy measurements in a sucrose octaacetate matrix.

  DOI：

  10.1021/jo300924x