N1,N2-bis(1,5-dimethyl-2-phenyl-3-(phenylimino)-2,3-dihydro-1H-pyrazol-4-yl)-1,2-diphenylethane-1,2-diimine | 801300-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N1,N2-bis(1,5-dimethyl-2-phenyl-3-(phenylimino)-2,3-dihydro-1H-pyrazol-4-yl)-1,2-diphenylethane-1,2-diimine
• CAS: 801300-83-4
• 化学式: C₄₈H₄₂N₈
• 分子量: 730.915
• InChiKey: OWXRGLHAHRFQSA-UHFFFAOYSA-N

物化性质

• 熔点：
  179 °C
• 沸点：
  806.5±75.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.97
• 重原子数：
  56.0
• 可旋转键数：
  9.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  69.16
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  硫酸氧钒水合物 、 N1,N2-bis(1,5-dimethyl-2-phenyl-3-(phenylimino)-2,3-dihydro-1H-pyrazol-4-yl)-1,2-diphenylethane-1,2-diimine 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Synthesis, Spectral, and Cyclic Voltammetric Studies of Tetraaza Copper(II), Oxovanadium(IV), and Zinc(II) Complexes Derived from 1,2‐(Diimino‐4′‐antipyrinyl)‐1,2‐diphenylethane and para‐Substituted Anilines

  摘要：

  Tetraaza acyclic Schiff bases, prepared from 1,2-(diimino-4'-antipyrinyl)-1,2-diphenylethane and p-substituted anilines, act as tetradentate ligands and form solid cationic solid complexes with Cu(II), Zn(II), and VO(IV) salts in ethanol. Microanalytical data, magnetic susceptibility measurements, IR, UV-VIS, mass, H-1 and C-13 NMR, and ESR spectral techniques were used to characterize the structures of synthesized compounds. IR and UV-VIS spectra of the complexes suggest that all the copper complexes exhibit square-planar geometry while the oxovanadium complexes are of square-pyramidal geometry. Mass, H-1 and C-13 NMR spectra of the Schiff bases and their complexes suggest that the general formula of the complexes is [ML]Y (where L = L-1, L-2 or L-3 Y = Cl-2 or SO4). Electrolytic behaviour of the chelates was assessed from their higher conductance data. Monomeric nature of the chelates was confirmed from their magnetic susceptibility values. Redox studies by cyclic voltammetry of copper complexes in MeCN suggest the existence of unusual oxidation states such as Cu(III), Cu(I), and Cu(0) which are stabilized by the ligand systems. The cyclic voltammogram of the oxovanadium complexes in MeCN shows two quasi-reversible peak for the VO(IV)/VO(V) and VO(IV)/VO(III) couples. The X-band ESR spectra of copper and oxovanadium complexes in DMSO solution at 300 and 77 K were recorded and their salient features are discussed.

  DOI：

  10.1081/sim-120039266