1-(furan-2-yl-methyl)-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-(furan-2-yl-methyl)-4-phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole
• 英文别名: 1-(Furan-2-ylmethyl)-4-phenyl-5-(trifluoromethyl)triazole；1-(furan-2-ylmethyl)-4-phenyl-5-(trifluoromethyl)triazole
• 化学式: C₁₄H₁₀F₃N₃O
• 分子量: 293.248
• InChiKey: DBMQSTWHJXREGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  43.8
• 氢给体数：
  0
• 氢受体数：
  6

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-(furan-2-yl-methyl)-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

• Copper(I)-Catalyzed Interrupted Click Reaction with TMSCF₃: Synthesis of 5-Trifluoromethyl 1,2,3-Triazoles
  作者：Kelvin Pak Shing Cheung、Gavin Chit Tsui

  DOI：10.1021/acs.orglett.7b01116

  日期：2017.6.2

  We herein describe a Cu(I)-catalyzed interrupted click reaction, using (trifluoromethyl)trimethylsilane (TMSCF3) as a nucleophilic CF3 source, to synthesize 5-trifluoromethyl 1,2,3-triazoles in one step from readily available terminal alkynes and azides. The reaction shows complete regioselectivity, broad substrate scope, and good functional group tolerability. The application of the reaction has been

  我们在本文中描述了使用（三氟甲基）三甲基硅烷（TMSCF 3）作为亲核CF 3来源的Cu（I）催化的间断点击反应，可从易于获得的末端炔烃中一步合成5-三氟甲基1,2,3-三唑和叠氮化物。该反应显示出完全的区域选择性，广泛的底物范围和良好的官能团耐受性。该反应的应用已在抗癫痫药鲁芬酰胺的三氟甲基化类似物的合成中得到证明。
• 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.