N,N'-di-(4-propynoxysalicylidene)-1,2-diaminoethane | 1430802-28-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N'-di-(4-propynoxysalicylidene)-1,2-diaminoethane
• 英文别名: 2-[2-[(2-Hydroxy-4-prop-2-ynoxyphenyl)methylideneamino]ethyliminomethyl]-5-prop-2-ynoxyphenol
• CAS: 1430802-28-0
• 化学式: C₂₂H₂₀N₂O₄
• 分子量: 376.412
• InChiKey: KKVWMFWNODSNGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N,N'-di-(4-propynoxysalicylidene)-1,2-diaminoethane 以 甲醇 为溶剂， 反应 4.0h， 以56%的产率得到[copper(II)(N,N'-di-(4-propynoxysalicylidene)-1,2-diaminoethane(-2H))]
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of copper(II) and nickel(II) complexes of propargyl arm containing N2O2 ligands: Antimicrobial activity and DNA binding

  摘要：

  Ni(II) and Cu(II) complexes of propargyl arm containing N2O2 Schiff base donor ligands (L1-L3) were prepared and characterised by elemental analysis, IR, NMR and UV-Vis spectroscopy. The crystal structures of CuL3 and NiL3 were determined by single crystal X-ray diffraction measurements. The coordination geometry around the copper and nickel centres is square planar, with the plane formed by the N2O2 donors of the Schiff base ligand. The crystal packing is stabilized by C-H center dot center dot center dot O intermolecular hydrogen bonding and further influenced by C-H center dot center dot center dot pi interactions. The electrochemical behaviour of the synthesized copper complexes was studied and the results obtained evidenced their irreversible oxidation. Antibacterial activity was assayed against selective Gram(+ve) and Gram(-ve) microorganisms. The DNA binding behaviour of the complexes was investigated using absorption and fluorescence titration measurements. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.030
• 作为产物：
  描述：

  2,4-二羟基苯甲醛 在 potassium hydrogencarbonate 、 potassium iodide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 0.5h， 生成 N,N'-di-(4-propynoxysalicylidene)-1,2-diaminoethane
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of copper(II) and nickel(II) complexes of propargyl arm containing N2O2 ligands: Antimicrobial activity and DNA binding

  摘要：

  Ni(II) and Cu(II) complexes of propargyl arm containing N2O2 Schiff base donor ligands (L1-L3) were prepared and characterised by elemental analysis, IR, NMR and UV-Vis spectroscopy. The crystal structures of CuL3 and NiL3 were determined by single crystal X-ray diffraction measurements. The coordination geometry around the copper and nickel centres is square planar, with the plane formed by the N2O2 donors of the Schiff base ligand. The crystal packing is stabilized by C-H center dot center dot center dot O intermolecular hydrogen bonding and further influenced by C-H center dot center dot center dot pi interactions. The electrochemical behaviour of the synthesized copper complexes was studied and the results obtained evidenced their irreversible oxidation. Antibacterial activity was assayed against selective Gram(+ve) and Gram(-ve) microorganisms. The DNA binding behaviour of the complexes was investigated using absorption and fluorescence titration measurements. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.030

文献信息

• DNA/BSA binding interactions and VHPO mimicking potential of vanadium(IV) complexes: Synthesis, structural characterization and DFT studies
  作者：M.A. Neelakantan、Chithiraivel Balakrishnan、V. Selvarani、M. Theetharappan

  DOI：10.1002/aoc.4125

  日期：2018.3

  Vanadium(IV) Schiff base complexes (VOL1‐VOL3) were synthesized and characterized by elemental analysis, various spectral methods and single crystal XRD studies. Structural analysis of VOL2 reveals that the central vanadium ion in the complex is six coordinate with distorted octahedral geometry. Density functional theory (DFT) and time dependent (TD‐DFT) studies were used to understand the electronic

  通过元素分析，各种光谱方法和单晶XRD研究合成并表征了钒（IV）Schiff碱配合物（VOL 1 -VOL 3）。VOL 2的结构分析揭示了络合物中的中心钒离子为六配位，八面体几何形状失真。密度泛函理论（DFT）和时间依赖性（TD-DFT）研究用于了解在UV-Vis光谱中的配合物中观察到的电子跃迁。在乙腈介质中研究了配合物的电化学行为，显示出准可逆的一次电子转移。钒配合物的DNA和BSA蛋白结合相互作用已通过UV-Vis和荧光光谱方法进行了探索，粘度测量表明，该配合物通过插层模式与CT-DNA相互作用，并遵循VOL 1