1-(4-methylbenzyl)-4-phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole

• 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-methylbenzyl)-4-phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole
• 英文别名: 1-[(4-Methylphenyl)methyl]-4-phenyl-5-(trifluoromethyl)triazole；1-[(4-methylphenyl)methyl]-4-phenyl-5-(trifluoromethyl)triazole
• 化学式: C₁₇H₁₄F₃N₃
• 分子量: 317.313
• InChiKey: DXSGXAMWLUORDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (碘乙炔基)苯 在 potassium fluoride 、 copper(l) iodide 、 1,10-菲罗啉 、 三乙胺 、 silver carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-methylbenzyl)-4-phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Copper-mediated trifluoromethylation of 5-iodotriazole with (trifluoromethyl)trimethylsilane promoted by silver carbonate

  摘要：

  A novel and mild method for copper-mediated trifluoromethylation of 5-iodotriazole using (trifluoromethyl)trimethylsilane (Me3SiCF3) as trifluoromethylating reagent with the assistance of Ag2CO3 was developed. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.10.006

文献信息

• Bench-Stable 5-Stannyl Triazoles by a Copper(I)-Catalyzed Interrupted Click Reaction: Bridge to Trifluoromethyltriazoles and Trifluoromethylthiotriazoles
  作者：Fang Wei、Tong Zhou、Yudao Ma、Chen-Ho Tung、Zhenghu Xu

  DOI：10.1021/acs.orglett.7b00701

  日期：2017.4.21

  Metalated triazoles are the key reactive intermediate of the current click reaction (CuAAC). Bench-stable 5-stannyl triazoles are obtained by a copper-catalyzed interrupted click reaction of easily available terminal alkynes. Subsequent palladium-catalyzed cross-coupling reactions, electrophilic trifluoromethylthiolation and trifluoromethylation, generate diverse 1,4,5-trisubstituted triazoles efficiently

  金属化的三唑是电流点击反应（CuAAC）的关键反应中间体。稳定的5-锡烷基三唑是通过铜催化的易获得的末端炔烃的间断点击反应而获得的。随后的钯催化的交叉偶联反应，亲电子的三氟甲基硫醇化和三氟甲基化，可以有效地生成各种1,4,5-三取代的三唑，而传统的点击反应是无法完成的。
• Copper-mediated trifluoromethylation of 5-iodotriazole with (trifluoromethyl)trimethylsilane promoted by silver carbonate
  作者：Dan Fu、Jian Zhang、Song Cao

  DOI：10.1016/j.jfluchem.2013.10.006

  日期：2013.12

  A novel and mild method for copper-mediated trifluoromethylation of 5-iodotriazole using (trifluoromethyl)trimethylsilane (Me3SiCF3) as trifluoromethylating reagent with the assistance of Ag2CO3 was developed. (C) 2013 Elsevier B.V. All rights reserved.