| 332926-99-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 332926-99-5；243644-61-3
• 化学式: C₆H₄NO₂*C₁₀H₁₉CuN₄O₃
• 分子量: 428.935
• InChiKey: MYWWNGWMKWOFQN-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

• 作为产物：
  描述：

  水 、 copper(II) isonicotinate 、 二乙烯三胺 以 乙醇 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis, spectral properties, crystal structures and antimicrobial effects of copper(II) pyridinecarboxylate adducts with chelating ligands

  摘要：

  The reaction of an ethanolic solution of copper(II) pyridinecarboxylates CuX2. nH(2)O (where X is nicotinate (nic) (n = 0) or isonicotinate (isonic) (n = 4)) with ethylenediamine ten) in a molar ratio of 1:2 lead to the isolation of solid tetragonally distorted octahedral complexes of the type [Cu(en)(2)(H2O)(2)]X-2. nH(2)O (n = 1 for nic: n = 0 for isonic). The analogous reaction of CuX2.n H2O with diethylenetriamine (dien) in a molar ratio of 1:1 leads to the formation of square-pyramidal pentacoordinated complexes of the type [CuX(dien)(H2O)]X. On the other hand, the reaction of equimolar quantities of copper(II) nitrate and dien with nicotinate anions (equimolar quantities of pyridinecarboxylic acid and NaOH) in ethanolic solutions gives a solid monomeric complex [Cu(nic)(NO3)dien)(H2O)].H2O in which the coordination polyhedron around the Cu(II) atom is a (4 + 1 + 1) distorted tetragonal bipyramid. Based on the molecular structure the electronic and IR spectra are discussed. Moreover, the results of the quantitative determination of antimicrobial activity of the isonic complexes [Cu(isonic)(2)(H2O)(4)]. [Cu(en)(2)(H2O)(2)](isonic)(2), [Cu(isonic)(dien)(H2O)](isonic), as well as isonicotinic acid, ethylenediamine and diethylenetriamine alone are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00585-4