N,N'-Diaethyl-γ-<2-fluor-phenylazo>-aminotropon-imin | 3793-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: N,N'-Diaethyl-γ-<2-fluor-phenylazo>-aminotropon-imin
• 英文别名: N,N'-Diaethyl-γ-(2-fluor-phenylazo)-aminotropon-imin
• CAS: 3793-48-4
• 化学式: C₁₇H₁₉FN₄
• 分子量: 298.363
• InChiKey: RCDURXZAFSOZPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.11
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N'-Diaethyl-γ-<2-fluor-phenylazo>-aminotropon-imin 、 tetracarbonyl nickel 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  N,N'-Disubstituted-1-amino-7-imino-1,3,5-cycloheptatrienes, a Non-classical Aromatic System

  摘要：

  DOI：

  10.1021/ja01475a031

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 7.12, page 724 - 733
  作者：

  DOI：——

  日期：——
• <b>Unpaired Electron Distribution in π-Systems</b>
  作者：D. R. Eaton、A. D. Josey、R. E. Benson、W. D. Phillips、T. L. Cairns

  DOI：10.1021/ja00880a027

  日期：1962.11
• Spin Delocalization in Mixed Tetrahedral Ni II Complexes
  作者：D. R. Eaton、W. D. Phillips

  DOI：10.1063/1.1696756

  日期：1965.7.15

  Proton magnetic resonance spectra of a number of paramagnetic Ni II chelates of the type NiL1L2 where L1 and L2 are different aminotroponeimine ligands have been examined. The proton resonances show large hyperfine contact interaction shifts due to delocalization of spin density from the metal to the ligand by dπ—pπ bonding. In the series of mixed chelates the amount of spin density delocalized to the different ligands varies markedly. Comparison with the spectra of the symmetric chelates shows that one ligand of each of the mixed chelates gains in spin density at the expense of the other ligand. The effect has been found to depend on the electron withdrawing or donating properties of the ligand substituents. The results for a number of ligands containing substituted phenyl groups have been correlated with the Hammett σ parameters. Two possible interpretations of these results are discussed, one proposed by Lin and Orgel and the other suggested by Jaffe's ideas of competitive π bonding in tetrahedral complexes. The latter is preferred for the Ni II aminotroponeimineates.