Zn[1-phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone](CH3COO)2 | 866724-39-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Zn[1-phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone](CH3COO)2
• CAS: 866724-39-2
• 化学式: C₂₂H₂₃N₅O₆Zn
• 分子量: 518.845
• InChiKey: RMCNJOPICKKWQN-CMFSJQJYSA-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：

  Zn[1-phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone](CH3COO)2 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Synthesis of Metal Complexes of 1‐Phenyl‐3‐methyl‐4‐benzoylpyrazole‐5‐one Semicarbazone by Solid‐State and Solution Reactions

  摘要：

  1-Phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone ( HL) and its complexes have been prepared and characterized on the basis of elemental analyses, IR spectra, H-1 NMR spectra, mass spectra, molar conductivity, thermal analyses and X-ray powder diffraction. The spectral data show that the complexes obtained by solution reactions have the general formulas [ ML2]center dot nH(2)O [ M = Mn( II), Co( II), Ni( II), Zn( II)] in which the ligand chelates to the metal ion in a mononegative O,N,O-tridentate fashion. On the other hand, the complexes obtained by solid-state reactions have the formulas [ M( HL)( OAc)(2)]center dot nH(2)O, in which the ligand acts as a neutral bidenate entity that coordinates through the carbonyl oxygen of the pyrazolone ring, the azomethine nitrogen and the two acetate groups that are monodenate.

  DOI：

  10.1081/sim-200055235
• 作为产物：
  描述：

  zinc(II) acetate dihydrate 、 4-benzoylsemicarbazone-1-phenyl-3-methyl-2-pyrazoline-5-one 以 neat (no solvent, solid phase) 为溶剂， 以96%的产率得到Zn[1-phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone](CH3COO)2
  参考文献：
  名称：

  Synthesis of Metal Complexes of 1‐Phenyl‐3‐methyl‐4‐benzoylpyrazole‐5‐one Semicarbazone by Solid‐State and Solution Reactions

  摘要：

  1-Phenyl-3-methyl-4-benzoylpyrazole-5-one semicarbazone ( HL) and its complexes have been prepared and characterized on the basis of elemental analyses, IR spectra, H-1 NMR spectra, mass spectra, molar conductivity, thermal analyses and X-ray powder diffraction. The spectral data show that the complexes obtained by solution reactions have the general formulas [ ML2]center dot nH(2)O [ M = Mn( II), Co( II), Ni( II), Zn( II)] in which the ligand chelates to the metal ion in a mononegative O,N,O-tridentate fashion. On the other hand, the complexes obtained by solid-state reactions have the formulas [ M( HL)( OAc)(2)]center dot nH(2)O, in which the ligand acts as a neutral bidenate entity that coordinates through the carbonyl oxygen of the pyrazolone ring, the azomethine nitrogen and the two acetate groups that are monodenate.

  DOI：

  10.1081/sim-200055235