8-Ethoxy-3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]chromen-2-imine | 1442619-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 8-Ethoxy-3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]chromen-2-imine
• 英文别名: 8-ethoxy-3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]chromen-2-imine
• CAS: 1442619-72-8
• 化学式: C₂₀H₁₅F₃N₄O₂
• 分子量: 400.36
• InChiKey: DTTVDZMOWRDTQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-乙氧基水杨醛 、 在 copper(l) iodide 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 8-Ethoxy-3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]chromen-2-imine
  参考文献：
  名称：

  One-Pot Synthesis of 3-Triazolyl-2-iminochromenes via a Catalytic Three Component Cascade Reaction

  摘要：

  A variety of 3-triazolyl-2-iminochromenes were synthesized in a one-pot, catalytic, three component condensation. In this event, a Cu(I)-catalyzed cycloaddition between 2-azidoacetonitrile and an acetylene formed a triazole and activated the neighboring methylene group, Inducing an aldol-cyclization-dehydration sequence in the presence of a salicylaldehyde. Further elaboration led to more complex polyheterocycles.

  DOI：

  10.1021/ol401151z

文献信息

• One-Pot Synthesis of 3-Triazolyl-2-iminochromenes via a Catalytic Three Component Cascade Reaction
  作者：Wenyuan Qian、Albert Amegadzie、David Winternheimer、Jennifer Allen

  DOI：10.1021/ol401151z

  日期：2013.6.21

  A variety of 3-triazolyl-2-iminochromenes were synthesized in a one-pot, catalytic, three component condensation. In this event, a Cu(I)-catalyzed cycloaddition between 2-azidoacetonitrile and an acetylene formed a triazole and activated the neighboring methylene group, Inducing an aldol-cyclization-dehydration sequence in the presence of a salicylaldehyde. Further elaboration led to more complex polyheterocycles.