4'-iodo-N,N-bis(4-methoxyphenyl)-2,2',6,6'-tetramethylbiphenyl-4-amine | 1176889-19-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4'-iodo-N,N-bis(4-methoxyphenyl)-2,2',6,6'-tetramethylbiphenyl-4-amine
• CAS: 1176889-19-2
• 化学式: C₃₀H₃₀INO₂
• 分子量: 563.478
• InChiKey: UWJQVVBITVTGLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.68
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4'-iodo-N,N-bis(4-methoxyphenyl)-2,2',6,6'-tetramethylbiphenyl-4-amine 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 作用下， 反应 14.0h， 以96%的产率得到N,N-bis(4-methoxyphenyl)-2,2',6,6'-tetramethyl-4'-[(trimetylsilyl)ethynyl]biphenyl-4-amine
  参考文献：
  名称：

  Highly Efficient Photoproduction of Charge-Separated States in Donor−Acceptor-Linked Bis(acetylide) Platinum Complexes

  摘要：

  We report a highly efficient charge separation system, D-Pt-A, where D (triphenylamine) and A (naphthatenediimide) are bonded to the Pt moiety through highly twisted phenylene ethynylene linkages. The quantum yields for the formation of the charge-separated state were determined to be nearly unity. The lifetimes of D+-Pt-A(-) were similar to 1 mu s at room temperature and much longer at low temperature. The spin-correlated radical ion pair was directly observed by means of time-resolved EPR spectroscopy.

  DOI：

  10.1021/ja904241r
• 作为产物：
  描述：

  4,4'-二甲氧基二苯胺 、 4,4'-diiodo-2,2',6,6'-tetramethylbiphenyl 在 18-冠醚-6 、 铜 、 potassium carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 4.0h， 以614 mg的产率得到4'-iodo-N,N-bis(4-methoxyphenyl)-2,2',6,6'-tetramethylbiphenyl-4-amine
  参考文献：
  名称：

  Highly Efficient Photoproduction of Charge-Separated States in Donor−Acceptor-Linked Bis(acetylide) Platinum Complexes

  摘要：

  We report a highly efficient charge separation system, D-Pt-A, where D (triphenylamine) and A (naphthatenediimide) are bonded to the Pt moiety through highly twisted phenylene ethynylene linkages. The quantum yields for the formation of the charge-separated state were determined to be nearly unity. The lifetimes of D+-Pt-A(-) were similar to 1 mu s at room temperature and much longer at low temperature. The spin-correlated radical ion pair was directly observed by means of time-resolved EPR spectroscopy.

  DOI：

  10.1021/ja904241r