[Cu(I)(N-(2-thiolatopropyl)-N,N-bis(2-pyridylmethyl)amine)] | 1476065-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Cu(I)(N-(2-thiolatopropyl)-N,N-bis(2-pyridylmethyl)amine)]
• CAS: 1476065-63-0
• 化学式: C₁₅H₁₈CuN₃S
• 分子量: 335.94
• InChiKey: RBZICSYQXYJMBD-UHFFFAOYSA-M

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：

  tetrakis(acetonitrile)copper(I) perchlorate 、 N-(2-mercaptopropyl)-N,N-bis(2-pyridylmethyl)amine 、 乙腈 以 丙酮 为溶剂， 生成 [Cu(I)(N-(2-thiolatopropyl)-N,N-bis(2-pyridylmethyl)amine)] 、 [Cu(I)4Cu(II)4(N-(2-thiolatopropyl)-N,N-bis(2-pyridylmethyl)amine)4(μ-OH)2(CH3CN)6](ClO4)6·2CH3CN
  参考文献：
  名称：

  Cu^I Thiolate Reactivity with Dioxygen: The Formation of Cu^II Sulfinate and Cu^II Sulfonate Species via a Cu^II Thiolate Intermediate

  摘要：

  Cu-I(Py2NS) (1) is formed by addition of Cu-I to a solution of the pyridyl-thiol ligand N-(2-mercaptopropyl)-N,N-bis(2-pyridylmethyl)amine (Py2NSH). Oxidation of complex 1 by air leads to the formation of Cu-II sulfinate and Cu-II sulfonate complexes, providing a model for the oxidative degeneration of copper-sulfur enzymes. Crystal structures were obtained for two Cu-II sulfinate complexes, [Cu-2(II)(Py2NSO2)(2)](BF4)(2)center dot 2(CH3)(2)CO (4a) and [Cu-2(II)(Py2NSO2)(2)(OTf)(2)] (4b), which were further characterized by UV-vis and EPR spectroscopy and cyclic voltammetry. Furthermore, two Cu-II sulfonate complexes with the proposed formulas Cu-2(II)(Py2NSO3)(2)(BF4)(2) (5a) and Cu-2(II)(Py2NSO3)(2)(OTf)(2) (5b) have been isolated and characterized. Monitoring the oxidation of 1 by UV-vis indicates that the oxidation proceeds via a dinuclear Cu-II mu-thiolate complex (3); as an intermediate an octanuclear mixed-valent (Cu4Cu4II)-Cu-I cluster with formula [(Cu4Cu4II)-Cu-I(Py2NS)(4)(mu-OH)(2)(CH3CN)(6)](ClO4)(6)center dot 2CH(3)CN (2) was isolated and characterized by X-ray single crystal structure determination.

  DOI：

  10.1021/ic402001t