4-[N,N-bis-(3,5-dimethylpyrazolyl-1-methyl)]aminoantipyrine | 1296889-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[N,N-bis-(3,5-dimethylpyrazolyl-1-methyl)]aminoantipyrine
• CAS: 1296889-89-8
• 化学式: C₂₃H₂₉N₇O
• 分子量: 419.53
• InChiKey: MCRZWLHTDDZCDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  65.81
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-[N,N-bis-(3,5-dimethylpyrazolyl-1-methyl)]aminoantipyrine 、 nickel(II) chloride hexahydrate 以 乙醇 为溶剂， 反应 3.0h， 生成 [Ni(4-[N,N-bis-(3,5-dimethylpyrazolyl-1-methyl)]aminoantipyrine)(H₂O)₂Cl]Cl
  参考文献：
  名称：

  Spectral, biological screening, and DNA studies of metal chelates of 4-[N,N-bis-(3,5-dimethyl-pyrazolyl-1-methyl)]aminoantipyrine

  摘要：

  Tridentate chelate complexes of Co(II), Ni(II), and Cu(II) have been synthesized from 4-[N,N-bis-(3,5-dimethyl-pyrazolyl-1-methyl)]aminoantipyrine. Microanalytical data, UV-Vis, magnetic susceptibility, Infrared, 1H- 13C-NMR, mass, thermal gravimetric analysis and electron paramagnetic resonance (EPR) techniques were used to confirm the structures. The electronic absorption spectra and magnetic susceptibility measurements suggest a distorted octahedral geometry for the metal. EPR spectra of the copper(II) complex at 77 K confirm the distorted octahedral geometry of the copper(II) complex. The antimicrobial activities of the ligand and metal complexes against the bacteria such as Xanthomonas maltophilia, Chromobacterium violaceum, Acinetobacter, Staphylococci, Streptococci, and the fungus Candida albicans have been carried out. A comparative study of minimum inhibitory concentration values of the ligand and its metal complexes indicates that metal complexes exhibit higher antibacterial and antifungal activity than the free ligand. The electrochemical behavior of copper(II) complex was studied by cyclic voltammetry. The complexes show nuclease activity in the presence of oxidant.

  DOI：

  10.1080/00958972.2011.572965
• 作为产物：
  描述：

  3,5-二甲基吡唑-1-甲醇 、 4-氨基安替比林 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 4-[N,N-bis-(3,5-dimethylpyrazolyl-1-methyl)]aminoantipyrine
  参考文献：
  名称：

  Spectral, biological screening, and DNA studies of metal chelates of 4-[N,N-bis-(3,5-dimethyl-pyrazolyl-1-methyl)]aminoantipyrine

  摘要：

  Tridentate chelate complexes of Co(II), Ni(II), and Cu(II) have been synthesized from 4-[N,N-bis-(3,5-dimethyl-pyrazolyl-1-methyl)]aminoantipyrine. Microanalytical data, UV-Vis, magnetic susceptibility, Infrared, 1H- 13C-NMR, mass, thermal gravimetric analysis and electron paramagnetic resonance (EPR) techniques were used to confirm the structures. The electronic absorption spectra and magnetic susceptibility measurements suggest a distorted octahedral geometry for the metal. EPR spectra of the copper(II) complex at 77 K confirm the distorted octahedral geometry of the copper(II) complex. The antimicrobial activities of the ligand and metal complexes against the bacteria such as Xanthomonas maltophilia, Chromobacterium violaceum, Acinetobacter, Staphylococci, Streptococci, and the fungus Candida albicans have been carried out. A comparative study of minimum inhibitory concentration values of the ligand and its metal complexes indicates that metal complexes exhibit higher antibacterial and antifungal activity than the free ligand. The electrochemical behavior of copper(II) complex was studied by cyclic voltammetry. The complexes show nuclease activity in the presence of oxidant.

  DOI：

  10.1080/00958972.2011.572965