[(2,6-bis[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridine)CuCl2] | 1211094-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(2,6-bis[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridine)CuCl2]
• 英文别名: copper;2,6-bis[(4-phenyltriazol-1-yl)methyl]pyridine;dichloride
• CAS: 1211094-79-9
• 化学式: C₂₃H₁₉Cl₂CuN₇
• 分子量: 527.903
• InChiKey: JPXHITBNHUITPI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 2,6-bis(4-phenyl-1,2,3-triazol-1-yl-methyl)pyridine 以 甲醇 为溶剂， 以80%的产率得到[(2,6-bis[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridine)CuCl2]
  参考文献：
  名称：

  Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(ii) acetate-accelerated azide–alkyne cycloaddition

  摘要：

  在不添加还原剂的情况下，在 5 mol% Cu(OAc)2Â-H2O 的存在下，2,6-双（叠氮甲基）吡啶与末端炔烃之间发生了快速偶联反应，为第一排过渡金属离子提供了三叉配体。在固态下观察到的 CuII 与 2,6-双（叠氮甲基）吡啶叠氮基团的烷基化氮原子之间的螯合作用是加速叠氮烷烃环化反应的原因。

  DOI：

  10.1039/c0dt01702g

文献信息

• A one pot multi-component CuAAC “click” approach to bidentate and tridentate pyridyl-1,2,3-triazole ligands: Synthesis, X-ray structures and copper(II) and silver(I) complexes
  作者：James D. Crowley、Pauline H. Bandeen、Lyall R. Hanton

  DOI：10.1016/j.poly.2009.06.010

  日期：2010.1

  A one pot, multi-component CuAAC reaction has been developed for the generation of alkyl, benzyl or aryl substituted bi and tridentate pyridyl-1,2,3-triazole ligands from their corresponding halides, sodium azide and alkynes in excellent yields. The ligands have been fully characterized by elemental analysis, HR-ESMS, IR, H-1 and C-13 NMR and in the ferrocenyl substituted cases the structures were confirmed by X-ray crystallography. Additionally, we have examined the coordination chemistry of these ligands and found that a variety of geometrically diverse Cu(II) and Ag(I) complexes, including interesting tri and tetrasilver complexes, can be formed. (C) 2009 Elsevier Ltd. All rights reserved.