6-bromo-N-(2-(cyclohexylamino)-1-(2-((1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-oxoethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide | 1569352-13-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-bromo-N-(2-(cyclohexylamino)-1-(2-((1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-oxoethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide
• 英文别名: 6-bromo-N-[2-(cyclohexylamino)-1-[2-[[1-(4-nitrophenyl)triazol-4-yl]methoxy]phenyl]-2-oxoethyl]-2-oxo-N-phenylchromene-3-carboxamide
• CAS: 1569352-13-1
• 化学式: C₃₉H₃₃BrN₆O₇
• 分子量: 777.631
• InChiKey: ABRQWTADBPYRGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  162
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-溴香豆素-3-甲酸 在 copper diacetate 、 sodium ascorbate 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 6-bromo-N-(2-(cyclohexylamino)-1-(2-((1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-oxoethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide
  参考文献：
  名称：

  One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction

  摘要：

  A facile, efficient, and environmentally friendly approach has been developed for the diversity oriented synthesis of trifiinctional coumarin-amide-triazole containing compounds. A wide variety of pharmacologically significant and structurally interesting compounds were synthesized via a one-pot, six-component, tandem Knoevenagel/Ugi/click reaction sequence from readily available starting materials in ethanol at room temperature in excellent overall yields. Substituents could be independently varied at five different positions.

  DOI：

  10.1021/co4001259