N1,N1-bis(4-ethylphenyl)-2-(6-methyl-4-oxo-4H-chromen-3-yl)-N2-{[(4-methylphenyl)sulfonyl]methyl}ethane-1,1,2-tricarboxamide | 1334482-29-9

• 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: N1,N1-bis(4-ethylphenyl)-2-(6-methyl-4-oxo-4H-chromen-3-yl)-N2-{[(4-methylphenyl)sulfonyl]methyl}ethane-1,1,2-tricarboxamide
• CAS: 1334482-29-9
• 化学式: C₃₉H₃₉N₃O₇S
• 分子量: 693.821
• InChiKey: ICPUGVVSPCCFJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.06
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  151.65
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,2-dimethyl-5-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)-1,3-dioxane-4,6-dione 、 对甲基苯磺酰甲基异腈 、 4-乙基苯胺 以 二氯甲烷 为溶剂， 反应 12.0h， 以0.27 g的产率得到N1,N1-bis(4-ethylphenyl)-2-(6-methyl-4-oxo-4H-chromen-3-yl)-N2-{[(4-methylphenyl)sulfonyl]methyl}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