| 1369257-99-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1369257-99-7
• 化学式: C₅₆H₄₆Cl₂CuN₆O₄
• 分子量: 1001.47
• InChiKey: WLIDQZOTJOEBEI-MQMCHCHGSA-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

• 作为产物：
  描述：

  、 水 、 copper diacetate 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of a series of pyrazolone based Schiff base ligands and DNA binding studies of their copper complexes

  摘要：

  PMP (5-methyl-4-(4-methyl-benzoyl)-2-phenyl-2,4-dihydro-pyrazol-3-one), PTPMP (5-methyl-4-(4-methyl-benzoyl)-2-p-tolyl-2,4-dihydro-pyrazol-3-one) and MCPMP (2-(3-Chloro-phenyl)-5-methyl-4-(4-methyl-benzoyl))-2,4-dihydro-pyrazol-3-one) were synthesized and used for the synthesis of Schiff base ligands. Schiff base ligands were characterized by FT-IR, H-1 NMR, Mass and single crystal X-ray analysis. Cu(II) complexes of synthesized ligands were prepared and characterized by elemental analysis, FT-IR, TGA-DTA, UV-Visible, ESI mass and ESR spectroscopy. On the basis of analytical and spectroscopic techniques, distorted octahedral geometry of the complexes was proposed. The interaction of Cu(II) complexes with CT-DNA was investigated by Absorption titration, Viscosity and fluorescence spectroscopy. Results suggest that the synthesized complexes bind to DNA via an intercalative mode and can quench the fluorescence intensity of EB bound to DNA. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.01.006