4,4',4''-tris[N,N-bis(2-pyridylmethyl)aminomethyl]triphenylamine | 1177901-20-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4',4''-tris[N,N-bis(2-pyridylmethyl)aminomethyl]triphenylamine
• 英文别名: 4-[[bis(pyridin-2-ylmethyl)amino]methyl]-N,N-bis[4-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]aniline
• CAS: 1177901-20-0
• 化学式: C₅₇H₅₄N₁₀
• 分子量: 879.123
• InChiKey: IRWGWDOKMIKHHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  67
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  90.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,4',4''-tris[N,N-bis(2-pyridylmethyl)aminomethyl]triphenylamine 、 sodium perchlorate 、 palladium dichloride 以 乙腈 为溶剂， 以93%的产率得到palladium(II) dichloro(4,4',4''-tris[N,N-bis(2-pyridylmethyl)aminomethyl]triphenylamine) triperchlorate
  参考文献：
  名称：

  Synthesis and properties of a redox active starburst ligand with three bispicorylamino groups and its trinuclear complexes

  摘要：

  A starburst-shaped ligand, 4,4'4 ''-tris[N, N-bis(2-pyridylmethyl) aminomethyl] triphenylamine, and its palladium and copper trinuclear complexes were designed and prepared. NMR techniques, COSY and ROESY, were applied to the palladium complex to examine its conformation in solution. The palladium complex was found to prefer a folded conformation even at 75 degrees C, indicating the occurrence of strong intramolecular stacking interaction. CV measurements of the palladium complex showed reversible TTA/TTA(+) redox couples. ETSF measurements showed that the corresponding radical pendant complex is very unstable. Molecular design rules for triarylamine-based spin bearing ligands are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.11.001