[Zn(N',N''-bis(3-carboxy-1-oxophenelenyl) 2 amino-N-arylbenzamidine)] | 1015164-88-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [Zn(N',N''-bis(3-carboxy-1-oxophenelenyl) 2 amino-N-arylbenzamidine)]
• CAS: 1015164-88-1
• 化学式: C₂₉H₁₉N₃O₆Zn
• 分子量: 570.876
• InChiKey: FWEAXCVSGTZRMA-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：

  [Zn(N',N''-bis(3-carboxy-1-oxophenelenyl) 2 amino-N-arylbenzamidine)] 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Synthesis and spectrothermal studies on group 12 metals coordination with novel carboxyamide ligands

  摘要：

  Complexes of group 12 metals with new ligands N',N ''-bis(3-carboxy-l-oxopropanyl) 2-amino-N-arylbenzamidine (H2L) and N',N ''-bis(3-carboxy-l-oxophenelenyl) 2-amino-N-arylbenzamidine (H2L) have been synthesized and characterized by elemental analyses, vibrational spectra, electronic spectra, H-1 NMR spectra, TOF-mass spectra, thermal studies and molecular modeling studies. The infrared and H-1 NMR spectral data are in agreement with coordination of amide and carboxylate oxygen of the ligands giving a MO4 tetrahedral chromophore. The elemental analyses and mass spectral data have justified the ML complexes. The thermal behaviour of complexes shows that water molecule is removed in first step-followed by decomposition of the rest of the molecule in the next steps. Kinetic and thermodynamic parameters were computed from the thermal data using Coats and Redfern method, which confirm first order kinetics. Molecular structures of the complexes have been optimized by MM2 calculations and supported tetrahedral geometry around metal(II) ions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.04.007
• 作为产物：
  描述：

  N',N''-bis(3-carboxy-1-oxophenelenyl) 2-amino-N-arylbenzamidine 、 zinc(II) chloride 以 甲醇 为溶剂， 以80%的产率得到[Zn(N',N''-bis(3-carboxy-1-oxophenelenyl) 2 amino-N-arylbenzamidine)]
  参考文献：
  名称：

  Synthesis and spectrothermal studies on group 12 metals coordination with novel carboxyamide ligands

  摘要：

  Complexes of group 12 metals with new ligands N',N ''-bis(3-carboxy-l-oxopropanyl) 2-amino-N-arylbenzamidine (H2L) and N',N ''-bis(3-carboxy-l-oxophenelenyl) 2-amino-N-arylbenzamidine (H2L) have been synthesized and characterized by elemental analyses, vibrational spectra, electronic spectra, H-1 NMR spectra, TOF-mass spectra, thermal studies and molecular modeling studies. The infrared and H-1 NMR spectral data are in agreement with coordination of amide and carboxylate oxygen of the ligands giving a MO4 tetrahedral chromophore. The elemental analyses and mass spectral data have justified the ML complexes. The thermal behaviour of complexes shows that water molecule is removed in first step-followed by decomposition of the rest of the molecule in the next steps. Kinetic and thermodynamic parameters were computed from the thermal data using Coats and Redfern method, which confirm first order kinetics. Molecular structures of the complexes have been optimized by MM2 calculations and supported tetrahedral geometry around metal(II) ions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.04.007