2-(2-(2,4-dichlorophenyl)-1-oxido-2H-1,2,3-triazol-5-yl)pyridine 1-oxide | 1454920-36-5

• 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-(2-(2,4-dichlorophenyl)-1-oxido-2H-1,2,3-triazol-5-yl)pyridine 1-oxide
• 英文别名: 2-(2,4-Dichlorophenyl)-5-(1-oxidopyridin-2-ylidene)triazol-1-ium 1-oxide；2-(2,4-dichlorophenyl)-5-(1-oxidopyridin-2-ylidene)triazol-1-ium 1-oxide
• CAS: 1454920-36-5
• 化学式: C₁₃H₈Cl₂N₄O₂
• 分子量: 323.138
• InChiKey: XQJPRKBDIOQNCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吡啶-N-氧化物 、 2-(2,4-dichlorophenyl)-2H-1,2,3-triazole 1-oxide 在 palladium diacetate 、 silver carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以93%的产率得到2-(2-(2,4-dichlorophenyl)-1-oxido-2H-1,2,3-triazol-5-yl)pyridine 1-oxide
  参考文献：
  名称：

  Pd-Catalyzed Oxidative CH/CH Direct Coupling of Heterocyclic N-Oxides

  摘要：

  A highly efficient protocol for C-H/C-H cross-coupling has been found to occur between 2-aryl-1,2,3-triazole N-oxides and pyridine N-oxide derivatives. In addition, two homocoupling reactions of 2-substituted 1,2,3-triazole N-oxides and some pyridine N-oxide derivatives were developed. A possible pathway of C-H/C-H direct coupling is discussed.

  DOI：

  10.1021/ol4019776

文献信息

• Pd-Catalyzed Oxidative CH/CH Direct Coupling of Heterocyclic <i>N</i>-Oxides
  作者：Wei Liu、Yahui Li、Yue Wang、Chunxiang Kuang

  DOI：10.1021/ol4019776

  日期：2013.9.20

  A highly efficient protocol for C-H/C-H cross-coupling has been found to occur between 2-aryl-1,2,3-triazole N-oxides and pyridine N-oxide derivatives. In addition, two homocoupling reactions of 2-substituted 1,2,3-triazole N-oxides and some pyridine N-oxide derivatives were developed. A possible pathway of C-H/C-H direct coupling is discussed.