N2-cyclohexyl-N1,N1-bis(3-nitrophenyl)-2-(4-oxo-4H-chromen-3-yl)ethane-1,1,2-tricarboxamide | 1334482-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N2-cyclohexyl-N1,N1-bis(3-nitrophenyl)-2-(4-oxo-4H-chromen-3-yl)ethane-1,1,2-tricarboxamide
• 英文别名: 2-N-cyclohexyl-1-N,1-N-bis(3-nitrophenyl)-2-(4-oxochromen-3-yl)ethane-1,1,2-tricarboxamide
• CAS: 1334482-24-4
• 化学式: C₃₂H₂₉N₅O₉
• 分子量: 627.61
• InChiKey: FSDCAEBJHUMWBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  205
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  色酮-3-甲醛 以 二氯甲烷 为溶剂， 反应 15.0h， 生成 N2-cyclohexyl-N1,N1-bis(3-nitrophenyl)-2-(4-oxo-4H-chromen-3-yl)ethane-1,1,2-tricarboxamide
  参考文献：
  名称：

  Pseudo-Five-Component Reaction between 3-Formylchromones, Meldrum’s Acid, Isocyanides and Primary Arylamines: Diversity-Oriented Synthesis of Novel Chromone-Containing Peptidomimetics

  摘要：

  An efficient and practical method has been developed for the diversity-oriented synthesis of chromone-containing tripeptides via pseudo-five-component reaction between 3-formylchromones, Meldrum's acid, isocyanides and primary aromatic amines for the generation of a wide range of structurally interesting and pharmacologically significant compounds at ambient temperature. It is worth mentioning that in the course of this reaction, five new bonds (two C-C bonds, two C-N bonds and one C=O bond) are formed. In the present reaction three amide bonds are newly formed.

  DOI：

  10.1021/co200125a