[Cu(II)(N,N'-bis(salicylidene)diethylenetriamine(2-))] | 66328-14-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(II)(N,N'-bis(salicylidene)diethylenetriamine(2-))]
• 英文别名: [Cu(saldien)]；[Cu(N,N'-bis(salicyledene)diethylenetriamine)]
• CAS: 66328-14-1
• 化学式: C₁₈H₁₉CuN₃O₂
• 分子量: 372.914
• InChiKey: CJBYTVZLXTVGHT-MVYGGZIESA-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：

  copper(II) choride dihydrate 、 水杨醛 、 二乙烯三胺 以 甲醇 为溶剂， 反应 6.0h， 以91.2%的产率得到[Cu(II)(N,N'-bis(salicylidene)diethylenetriamine(2-))]
  参考文献：
  名称：

  含有席夫碱配体的 N 3 O 2 和 N 4 O 2 供体的单核铜 (II) 配合物的合成：理论和生物学观察

  摘要：

  摘要 以含席夫碱配体的N 3 O 2 和N 4 O 2 供体合成了一系列新的六种单核铜(II)配合物，并用各种光谱方法对其进行了表征。使用 UV-Vis、EPR 和 DFT 计算确定复合物的几何形状。N 3 O 2 供体的配合物（ 1 - 3 ）采用四方锥体几何形状，其余的 N 4 O 2 供体配合物（ 4 - 6 ）在铜（II）核周围显示出扭曲的八面体几何形状。复合物的氧化还原特性在阴极电位 (E pc ) 区域从 -0.74 到 -0.98 V 显示出单电子不可逆还原过程。该复合物对 DPPH 自由基显示出有效的抗氧化活性。复合物的分子对接研究表明，与 VEGFR2 激酶受体存在 σ-π 相互作用、氢键、静电和范德华相互作用。通过 MTT 分析测试了复合物对人乳腺癌 (MDA-MB-231) 细胞系和一种正常人真皮成纤维细胞 (NHDF) 细胞系的体外细胞毒性。Hoechst 33258

  DOI：

  10.1016/j.molstruc.2017.04.115

文献信息

• Oxidation of phenol and hydroquinone catalysed by copper(II) and oxovanadium(IV) complexes of N,N′-bis(salicyledene)diethylenetriamine (H2saldien) covalently bonded to chloromethylated polystyrene
  作者：Mannar R. Maurya、Sweta Sikarwar

  DOI：10.1016/j.molcata.2006.08.038

  日期：2007.2

  Reaction between N,N'-bis(salicyledene)diethylenetriamine (H(2)saldien) covalently bonded to chloromethylated polystyrene cross linked with 5% divinylbenzene (abbreviated as PS-H(2)saldien, I) and aqueous potassium vanadate at ca. pH 6.5 results in the formation of polymer-anchored complex PS-[VO(saldien)] (1). Cupric acetate on reaction with I in methanol gives PS-[Cu(saldien)] (2). Formations of these complexes were confirmed by IR and electronic spectroscopic techniques, elemental and thermo gravimetric analyses and scanning electron micrographs. Catalytic potential of these complexes have been tested for the oxidation of phenol and hydroquinone using 30% H2O2 as an oxidant. Various reaction parameters such as substrate to oxidant ratio, concentration of catalysts and solvent of the reaction medium have been optimised to get maximum oxidation of phenol to p-benzoquinone selectively. Under optimised conditions, i.e. phenol (1.88 g, 20 mmol), H2O2 (4.56 g, 40 mmol), PS-[Cu(saldien)] (30mg), temperature (70 degrees C) and water (10ml), the phenol conversion was found to be 22.2% and percentage yield of the main products p-benzoquinone and catechol are 14.4% and 7.8%, respectively. PS-[VO(saldien)] exhibits only 3% conversion in water with 100% selectivity towards benzoquinone. Both the catalysts become more selective towards catechol formation along with higher conversion in acetonitrile. The selectivity of p-benzoquinone was also found to be dependent on volume and nature of solvent, and temperature. Hydroquinone oxidation was also found to be pH dependent; carbonate buffer gives quantitative conversion within 30 min at 1: 6 substrate to oxidant ratio. (c) 2006 Elsevier B.V. All rights reserved.