trans-bisaquabis(o-vanillinato)copper(II) | 1031436-68-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: trans-bisaquabis(o-vanillinato)copper(II)
• 英文别名: [Cu(2-hydroxy-3-methoxybenzaldehyde(-1H))2(H2O)2]；[Cu(o-vanillin(-1H))2(H2O)2]
• CAS: 1031436-68-6；130641-46-2
• 化学式: C₁₆H₁₈CuO₈
• 分子量: 401.86
• InChiKey: SPOLQPDKBGLWLU-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：

  2-氨基丁醇 、 trans-bisaquabis(o-vanillinato)copper(II) 以 甲醇 为溶剂， 以77%的产率得到bis[(R)-(-)-hydroxymethylpropylimine-o-vanillinato]copper(II)
  参考文献：
  名称：

  双（邻香兰素）-三亚乙基甘二胺铜（II）和双[（R）-（-）-羟甲基丙基亚胺邻香兰素]铜（II）的合成，晶体结构，光谱和热表征

  摘要：

  摘要合成了新颖的双（邻-香草醛）-三亚乙基甘二胺铜（II）（1）和双[（R）-（-）-羟甲基丙基亚胺邻-香草醛]铜（II）（2），并通过元素分析对其进行了表征，磁化率，光谱方法（UV-Vis和FT-IR），同时TG，DTA技术和X射线衍射。（1）的晶体结构确定了Cu原子被来自席夫碱配体的两个亚胺N原子和两个酚O原子配位，其方平面配位稍微变形。该分子的o-香草基配体部分处于反式构型，并且芳族环平面之间的二面角为43.97（14）°。化合物（2）在三斜晶系空间群P 1中结晶，其晶胞参数为a = 8.054（7），b = 8.684（7），c = 10.258（8）A，α= 79.452（6）°，β= 70.454（6）°，γ= 65.427（6）°，Z =1。（2）的晶体结构表明，该配合物略微扭曲为正方形平面，并被席夫碱配体的两个亚胺N原子和两个酚O原子螯合。（2）的o-香草基配体部分处于反式构型，并且芳族环平面之间的扭转角为60

  DOI：

  10.1016/j.poly.2009.06.092
• 作为产物：
  描述：

  copper(II) acetate monohydrate 、 邻香草醛 以 甲醇 、 水 为溶剂， 以77%的产率得到trans-bisaquabis(o-vanillinato)copper(II)
  参考文献：
  名称：

  Physicochemical characterization of Cu(II) complexes with SOD-like activity, theoretical studies and biological assays

  摘要：

  The mononuclear Cu(II)) complex, [Cu(o-Va)(2)(H2O)(2)] (o-HVa = o-vanillin, 2-hydroxy-3-methoxybenzaldehyde) has been synthesized and characterized by elemental analyses. FTIR, FT-Raman, and electronic spectroscopies and compared with the results obtained for the free ligand The optimized geometry, the harmonic vibrational frequencies and the electronic transitions of the complex and the ligand were Calculated Using methods based on the density functional theory. Antimicrobial activity against Escherichia call and Staphylococcus aureus and SOD-mimic activities of the complex were studied and compared with the analogous copper complex with vanillin, [Cu(Va)(2)(H2O)(2)] Stability of the compounds in the essayed solution and with time was determined by means of conductimetric measurements Their redox behavior was Studied by cyclic voltammetry and was compared with that observed for the ligands. The complexes undergo two main reductions and one oxidation processes involving the metal center and the coordinated ligand, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.11.015