| 351343-59-4

• CAS: 351343-59-4
• 化学式: C₄₀H₃₈Fe₂N₂O₄Pd₂
• 分子量: 935.287
• InChiKey: CTLMDIUQWQHSNU-ADLUWWIASA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 三苯基膦 以 丙酮 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Trans-influences in mononuclear cyclopalladated compounds containing a σ(Pd–Csp2, ferrocene) bond. X-ray crystal structures of [Pd{[(η5-C5H3)–CHN–CH2–C6H5]Fe(η5-C5H5)}(X)(PPh3)] with X−=Br− and I−

  摘要：

  The syntheses, characterization and study of the properties of cyclopalladated compounds of general formula: CPd{[(eta (5)-C5H3)CH=N-CH2-C6H5]Fe(eta (5)-C5H5)}(X)(PPh3)] with X- = Cl-, Br-, I-, CN-, SCN- or AcO- are reported. Compounds with X- = Br- and I- were characterized by X-ray diffraction, and their crystal structures revealed the existence of a weak C-H X interaction involving one of the -CH2- type hydrogen atoms bound to the imine nitrogen. Comparison of the spectroscopic properties of these compounds has allowed us to elucidate the influence of the monoanionic ligand, X-, on a tuans-arrangement to the metallated carbon atom upon the environment of the iron(II). Theoretical studies based on the semiempirical PM3(tm) were also been carried out to clarify the effects produced by the X- ligand on the ring current of the metallated C,H, ring of the ferrocenyl fragment. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00900-1
• 作为产物：
  描述：

  N-benzyl-ferrocenylidenamine 、 sodium acetate 、 palladium diacetate 以 甲醇 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  Trans-influences in mononuclear cyclopalladated compounds containing a σ(Pd–Csp2, ferrocene) bond. X-ray crystal structures of [Pd{[(η5-C5H3)–CHN–CH2–C6H5]Fe(η5-C5H5)}(X)(PPh3)] with X−=Br− and I−

  摘要：

  The syntheses, characterization and study of the properties of cyclopalladated compounds of general formula: CPd{[(eta (5)-C5H3)CH=N-CH2-C6H5]Fe(eta (5)-C5H5)}(X)(PPh3)] with X- = Cl-, Br-, I-, CN-, SCN- or AcO- are reported. Compounds with X- = Br- and I- were characterized by X-ray diffraction, and their crystal structures revealed the existence of a weak C-H X interaction involving one of the -CH2- type hydrogen atoms bound to the imine nitrogen. Comparison of the spectroscopic properties of these compounds has allowed us to elucidate the influence of the monoanionic ligand, X-, on a tuans-arrangement to the metallated carbon atom upon the environment of the iron(II). Theoretical studies based on the semiempirical PM3(tm) were also been carried out to clarify the effects produced by the X- ligand on the ring current of the metallated C,H, ring of the ferrocenyl fragment. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00900-1