1,5-bis[(6-(diphenylphosphanyl)-2-pyridylmethyl)-n-propylaminomethyl]naphthalene | 956722-80-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,5-bis[(6-(diphenylphosphanyl)-2-pyridylmethyl)-n-propylaminomethyl]naphthalene
• 英文别名: BPNNNa
• CAS: 956722-80-8
• 化学式: C₅₄H₅₄N₄P₂
• 分子量: 820.997
• InChiKey: KWCMAVBZQVREET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.97
• 重原子数：
  60.0
• 可旋转键数：
  18.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  32.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  四(乙酰腈)银(I)四氟硼酸 、 1,5-bis[(6-(diphenylphosphanyl)-2-pyridylmethyl)-n-propylaminomethyl]naphthalene 、 1,2-二氯乙烷 以 二氯甲烷 为溶剂， 以69%的产率得到[μ(1,5-bis[(6-(diphenylphosphanyl)-2-pyridylmethyl)-n-propylaminomethyl]naphthalene)Ag2](BF4)2*0.5C2H4Cl2
  参考文献：
  名称：

  Complexation-induced distortion of a naphthalene unit symmetrically-substituted by two (N,N,P) ligands

  摘要：

  Binuclear complexes [M-2(mu-BPNNNa)] [BF4-](2) (M = Cu-I, 1; M = Ag-I, 2) were prepared by reaction of 1,5-bis [{6-(diphenylphosphanyl)-2-pyridylmethyl}n-propylamino methyl]naphthalene (BPNNNa) with M(CH3CN)(4) BF4 in CH2Cl2 and were structurally characterized by single crystal X-ray diffraction studies. In complexes land 2, BPNNNa acts as a chelating ligand and two dppy (2-(diphenylphosphino) pyridine) units with two metal atoms are linked together in head-to-tail mode to form an eight-membered ring, which exhibits an eclipsed conformation. A significant feature in complexes 1 and 2 is the deformation of the flat naphthalene unit, in which the two aryl moieties make an angle of 10.3 degrees (1) and 7.2 degrees (2), respectively. A weak Ag...Ag interaction is present in the complex 2. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.10.006