(5,5-dicarboxyethyl-3,7-diazanonanedioato)copper(II)*H2O | 949156-39-2

• 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: (5,5-dicarboxyethyl-3,7-diazanonanedioato)copper(II)*H2O
• CAS: 949156-39-2
• 化学式: C₁₃H₂₀N₂O₈*Cu*H₂O
• 分子量: 413.872
• InChiKey: XPGPNWQXAFLUHU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.05
• 重原子数：
  25.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  188.42
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 水 、 丙二酸二乙酯 、 cis-bis(amino acidato)copper(II) complex of glycine 以 甲醇 、 水 为溶剂， 以68%的产率得到(5,5-dicarboxyethyl-3,7-diazanonanedioato)copper(II)*H2O
  参考文献：
  名称：

  Mannich aminomethylation reactions of a series of bis(α-amino acidato)metal(II) complexes with formaldehyde and diethylmalonate: Crystal structure of (5,5-dicarboxyethyl-3,7-diazanonanedioato)copper(II) monohydrate

  摘要：

  Mannich aminomethylation reactions involving M(aa)(2), where M = Cu, Ni and aa = glycine(gly), DL-alanine(DL-ala), L-alanine(L-ala), with formaldehyde and diethylinalonate have been carried out, resulting in carboxylate appended systems in high yield. All the compounds have been characterized by UV-Vis spectroscopy, infrared spectroscopy and elemental analysis. One of the synthesized complexes, (5,5-dicarboxyethyl-3,7-diazanonanedioato)copper(II) monohydrate, has been characterized by single crystal XRD and has been used as catalyst in the hydrogen peroxide-induced degradation of pyrocatechol violet (PCV) dye. The variations in the rate of degradation of the dye with respect to change in concentration of hydrogen peroxide, dye, catalyst and pH have been studied. Effect of addition of NaCl has been studied and a suitable mechanism based on the formation of free radical species during the degradation process has been proposed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.02.017