4-PyN(PPh2)2 | 686276-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-PyN(PPh2)2
• 英文别名: N,N-bis(diphenylphosphanyl)pyridin-4-amine
• CAS: 686276-04-0
• 化学式: C₂₉H₂₄N₂P₂
• 分子量: 462.47
• InChiKey: JREYNETYUQUELC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-PyN(PPh2)2 、 [((μ-SCH2)2NCH2CO2Me)Fe(CO)6] 在 Me₃NO*2H₂O 作用下， 以 乙腈 为溶剂， 以40%的产率得到[((μ-SCH2)2NCH2CO2Me)Fe(CO)5(Ph2PNHPy-4)]
  参考文献：
  名称：

  Ligand rearrangement and oxidation during preparation of diiron hydrogenase active site models [(μ-SCH2)2NCH2CO2Me]Fe2(CO)5(Ph2PNHPy-4) and [(μ-SCH2)2NCH2CO2Me]Fe2(CO)5[Ph2PP(O)Ph2]

  摘要：

  Reaction of [(mu-SCH2)(2)NCH2CO2Me]Fe-2(CO)(6) with 4-PyN(PPh2)(2) (Py = C5H4N) in the presence of the decarbonylating agent Me3NO center dot 2H(2)O afforded unexpected complexes [(mu-SCH2)(2)NCH2CO2Me]Fe-2(CO)(5)( Ph2PNHPy-4) (1) and [(mu-SCH2)(2)NCH2CO2Me]Fe-2(CO)(5)[Ph2PP(O)Ph-2] (2) in 40% and 14% yields, respectively. The new complexes 1 and 2 have been characterized by elemental analysis, IR and H-1 (P-31, C-13) NMR spectroscopic techniques. In addition, their structures were determined by single-crystal X-ray diffraction analysis, indicating that the monophosphine ligands in complexes 1 and 2 both reside in an axial position of the square-pyramidal coordination sphere of the Fe atoms. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.09.012