[bis(N,N'-bis(4-antipyrylmethylidene)ethylenediamine)dichloroiron(III)]Cl | 531504-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [bis(N,N'-bis(4-antipyrylmethylidene)ethylenediamine)dichloroiron(III)]Cl
• 英文别名: 4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]ethyliminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;trichloroiron
• CAS: 531504-50-4
• 化学式: C₅₂H₅₆Cl₂FeN₁₂O₄*Cl
• 分子量: 1075.3
• InChiKey: DCHXESYYSGGIKB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  7.71
• 重原子数：
  72
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  144
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  iron(III) chloride hexahydrate 、 N,N'-bis(4-antipyrylmethylidene)ethylenediamine 以 丙酮 为溶剂， 以89%的产率得到[bis(N,N'-bis(4-antipyrylmethylidene)ethylenediamine)dichloroiron(III)]Cl
  参考文献：
  名称：

  Complexes of Iron(III) with N,N′‐bis(4‐Antipyrylmethylidene)ethylenediamine

  摘要：

  Iron(III) complexes of the Schiff base N,N'-bis(4-antipyrylmethylidene)ethylenediamine (BAME) having the general formulae [Fe(BAME)(2)X]X-2 (X=ClO4 or NO3) and [Fe(BAME)(2)X-2]X (X=SCN, Cl or Br) have been s+ynthesized and characterized by elemental analyses, electrical conductance in non-aqueous solvents, infrared and electronic spectra, and magnetic. susceptibility measurements. In these complexes, BAME acts as a neutral bidentate ligand coordinating through both azomethine nitrogen atoms. In the perchlorate and nitrate complexes, one of the anions is bidentate while in the thiocynate complex, two of the anions are bound in a monodentate fashion to the metal ion. In the chloride and bromide: complexes, two of the halide ions are coordinated. A high-spin octahedral geometry is assigned around Fe(III) in all of these complexes.

  DOI：

  10.1081/sim-120016870