1-((p-nitrophenyl)hydrazono)-2-(((p-dimethylamino)phenyl)imino)ethane | 138093-11-5

• 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: 1-((p-nitrophenyl)hydrazono)-2-(((p-dimethylamino)phenyl)imino)ethane
• 英文别名: N-[2-[4-(dimethylamino)phenyl]iminoethylideneamino]-4-nitroaniline
• CAS: 138093-11-5
• 化学式: C₁₆H₁₇N₅O₂
• 分子量: 311.343
• InChiKey: MRXRVUFBBKRTON-UHFFFAOYSA-N

物化性质

• 沸点：
  503.1±60.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.13
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-((p-nitrophenyl)hydrazono)-2-(((p-dimethylamino)phenyl)imino)ethane 、 potassium ethoxide 、 cobalt(II) acetate 以 乙醇 为溶剂， 以60%的产率得到cobaltous bis(1-((p-nitrophenyl)hidrazono)-2-(((p-dimethylamino)phenyl)imino)ethane)
  参考文献：
  名称：

  Highly polarizable metallic complexes for nonlinear optics. Cobaltous complexes of unsymmetrical hydrazone imine glyoxal derivatives

  摘要：

  The synthesis of 1-(p-phenylhydrazono)-2-(phenylimino)ethane derivatives, unsymmetrically substituted in the para positions with an electron acceptor (-NO2) and an electron donor (-OMe or -NMe2), is described, and the corresponding cobaltous complexes are prepared. X-ray diffraction on a single crystal of the dimethylamino complex has been performed (space group: P1BAR), showing that the coordination site around the cobalt ion is nearly tetrahedral. The complex itself is approximately of C2 symmetry. The inversion center of the space group transforms one optical isomer into the other. The hyperpolarizability coefficients (beta) of the ligands in their cis and trans forms, and those of the neutral cobaltous complexes, have been determined in solution by the electric field induced second harmonic (EFISH) technique. The magnitude of the beta-value obtained for the complex is larger than the value calculated from the tensorial addition of the molecular hyperpolarizability coefficients of the ligands. The importance of the cation on the nonlinear optical properties of metalloorganic complexes is outlined.

  DOI：

  10.1021/ja00029a019