1-(4-chloro-2-(trifluoromethyl)phenyl)-5-methyl-1H-tetrazole | 1573117-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-chloro-2-(trifluoromethyl)phenyl)-5-methyl-1H-tetrazole
• CAS: 1573117-59-5
• 化学式: C₉H₆ClF₃N₄
• 分子量: 262.622
• InChiKey: KUSVIUGAYVGBMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(4-chloro-2-(trifluoromethyl)phenyl)acetamide 在 sodium azide 、 三氟甲磺酸酐 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 1-(4-chloro-2-(trifluoromethyl)phenyl)-5-methyl-1H-tetrazole
  参考文献：
  名称：

  Visible-Light-Promoted Radical C–H Trifluoromethylation of Free Anilines

  摘要：

  The trifluoromethyl-substituted anilines are biologically active compounds and useful building blocks. In this communication, we have developed the first visible-light-induced radical trifluoromethylation of free anilines with the commercially available and easily handled Togni reagent at room temperature. The resulting products were successfully transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds. This protocol provides an economical and powerful route to trifluoromethylated free anilines.

  DOI：

  10.1021/ol500469a