2-(((3-(diphenylphosphaneyl)propyl)amino)methyl)phenol | 133789-92-1

• 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: 2-(((3-(diphenylphosphaneyl)propyl)amino)methyl)phenol
• CAS: 133789-92-1
• 化学式: C₂₂H₂₄NOP
• 分子量: 349.412
• InChiKey: CUGRXUAYTRKXEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  32.26
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (n-Bu4N)(ReOCl4(H2O)) 、 2-(((3-(diphenylphosphaneyl)propyl)amino)methyl)phenol 以 甲醇 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Complexes of rhenium(V) with tridentate ligands having o, n and p donor atoms. The x-ray crystal structures of ReOCl2[OC6H4-2-CHN(CH2)3PPh2] and its reduced counterpart ReOCl2[OC6H4-2-CH2NH(CH2)3PPh2]

  摘要：

  The tridentate ligand HOC6H4-2-CH2NH(CH2)3PPh2, which contains both "hard" and "soft" potential donor atoms, has been synthesized along with its rehenium(V) complex ReOCl2[OC6H4-2-CH2NH(CH2)3PPh2]. Single crystal X-ray diffraction studies show that this molecule has a qualitatively similar structure to its Schiff base counterpart ReOCl2[OC6H4-2-CH = N(CH2)3PPh2], despite the change in bonding at the central ligating nitrogen atom from sp3 to sp2. At a more detailed level, significant differences in structural parameters are found to occur. In both cases the coordination site trans to the Re = O oxygen [Re = O = 1.680(7) and 1.695(9) angstrom, respectively] is occupied by the phenolic oxygen [Re-O = 1.943(7) and 1.953(9) angstrom, respectively] and the rhenium atom has a distorted octahedral coordination environment. The Re-N distance lengthens on reduction of the ligand [Re-N(H)- = 2.224(8) angstrom, Re-N = = 2.111(11) angstrom] while the Re-N = C(sp2.) bond angle decreases by 12.7-degrees on reduction.

  DOI：

  10.1016/s0277-5387(00)81595-8