Cu(H2O)(3-[4'-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one)(CH3CO2)CH3CO2*H2O | 1151424-66-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Cu(H2O)(3-[4'-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one)(CH3CO2)CH3CO2*H2O
• CAS: 1151424-66-6
• 化学式: C₂H₃O₂*C₁₈H₂₁CuN₂O₄*H₂O
• 分子量: 469.982
• InChiKey: CBGZPMPIGJWUKY-UHFFFAOYSA-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：

  Cu(H2O)(3-[4'-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one)(CH3CO2)CH3CO2*H2O 以 neat (no solvent, solid phase) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  Synthesis, spectral, thermal and theoretical studies of Cu(II) complexes with 3-[4′-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one (DMAPP)

  摘要：

  Cu(II) complexes of 3-[4'-dimethylaminopheny]-1-(2-pyridyl) prop-2-en-1-one (E)MAPP) are prepared and characterized by elemental analysis as well as spectral studies (IR and UV-vis), ESR, magnetic susceptibilities and thermal studies. The effect of different alcoholic solvents as well as the temperature on the complex formation is studied. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. The stoichiometry, stability constant, absorption maximum and molar absorptivity of the metal complexes as well as the effect of pH, temperature on complex formation are determined spectrophotometrically. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM+ force field coupled with molecular dynamics simulation. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.01.042
• 作为产物：
  描述：

  copper diacetate 、 3-(4-(dimethylamino)phenyl)-1-(pyridin-2-yl)prop-2-en-1-one 以 乙醇 为溶剂， 生成 Cu(H2O)(3-[4'-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one)(CH3CO2)CH3CO2*H2O
  参考文献：
  名称：

  Synthesis, spectral, thermal and theoretical studies of Cu(II) complexes with 3-[4′-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one (DMAPP)

  摘要：

  Cu(II) complexes of 3-[4'-dimethylaminopheny]-1-(2-pyridyl) prop-2-en-1-one (E)MAPP) are prepared and characterized by elemental analysis as well as spectral studies (IR and UV-vis), ESR, magnetic susceptibilities and thermal studies. The effect of different alcoholic solvents as well as the temperature on the complex formation is studied. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. The stoichiometry, stability constant, absorption maximum and molar absorptivity of the metal complexes as well as the effect of pH, temperature on complex formation are determined spectrophotometrically. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM+ force field coupled with molecular dynamics simulation. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.01.042

文献信息

• Studies on chalcone derivatives: Complex formation, thermal behavior, stability constant and antioxidant activity
  作者：Yusif S. El-Sayed、M. Gaber

  DOI：10.1016/j.saa.2014.08.061

  日期：2015.2

  confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the chalcone to copper nanoparticles was studied. The apparent association constants of the colloidal copper nanoparticles:chalcone complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) chalcone complexes. Antioxidant activity of these chalcones was evaluated

  查尔酮3- [4'-二甲基氨基苯基] -1-（2-吡啶基）丙-2-烯-1-酮（DMAPP）和3-（4'-二乙基氨基苯基）-1-（2-吡啶基）丙-2如前所述（El-Daly等人，2008； Gaber等人，2009； Gas等人，2009； Gas等人，2008； Gas等人，2008； Gas等人，2009）。 El-Sayed，2013年）。通过使用紫外可见光谱法，测定了具有DMAPP和DEAPP配合物的铜的摩尔分数比，发现该摩尔比为1：1。该复合物的稳定性常数已经通过Job的方法确定。铜与DMAPP和DEAPP配合物在通用缓冲液pH = 3.2中的稳定常数（Kf）分别确定为9.9×10（4）和5.2×10（4）。还指定了Cu（II）离子对游离查尔酮的发射光谱的影响。坚持啤酒' 确定s定律和Ringbom的最佳浓度范围。通过TGA技术研究了金属配合物的热分解。估算动力学参数，如活化能，指