5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1H-tetrazole | 445265-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1H-tetrazole
• 英文别名: 5-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)tetrazole
• CAS: 445265-03-2
• 化学式: C₁₃H₇Cl₃N₄
• 分子量: 325.584
• InChiKey: YZPPGWMBSHLBNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氯碘苯 、 1-(3,4-dichlorophenyl)tetrazole 在 copper(l) iodide 、 三(2-呋喃基)膦 、 palladium diacetate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以53%的产率得到5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1H-tetrazole
  参考文献：
  名称：

  Direct C−H Arylation and Alkenylation of 1-Substituted Tetrazoles: Phosphine As Stabilizing Factor

  摘要：

  Direct arylation and alkenylation of 1-substituted tetrazoles was achieved via Pd catalysis in the presence of CuI and CS2CO3. Unlike the related reactions of imidazoles and purines, phosphine ligand was necessary to prevent the intermediate tetrazolyl-Pd-II species from fragmentation into the corresponding cyanamide, Various 1,5-disubstituted tetrazoles were prepared with good to excellent isolated yields.

  DOI：

  10.1021/jo902180u

文献信息

• Direct C−H Arylation and Alkenylation of 1-Substituted Tetrazoles: Phosphine As Stabilizing Factor
  作者：Marcel Špulák、Richard Lubojacký、Petr Šenel、Jiří Kuneš、Milan Pour

  DOI：10.1021/jo902180u

  日期：2010.1.1

  Direct arylation and alkenylation of 1-substituted tetrazoles was achieved via Pd catalysis in the presence of CuI and CS2CO3. Unlike the related reactions of imidazoles and purines, phosphine ligand was necessary to prevent the intermediate tetrazolyl-Pd-II species from fragmentation into the corresponding cyanamide, Various 1,5-disubstituted tetrazoles were prepared with good to excellent isolated yields.