2,2-dimethyl-5-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)-1,3-dioxane-4,6-dione | 1006049-39-3

• 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: 2,2-dimethyl-5-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)-1,3-dioxane-4,6-dione
• CAS: 1006049-39-3
• 化学式: C₁₇H₁₄O₆
• 分子量: 314.295
• InChiKey: WCPPDSWDHSOWAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  82.81
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-5-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)-1,3-dioxane-4,6-dione 、 2-异腈萘 、 邻甲苯胺 以 二氯甲烷 为溶剂， 反应 12.0h， 以0.28 g的产率得到2-(6-methyl-4-oxo-4H-chromen-3-yl)-N1,N1-bis(2-methylphenyl)-N2-(2-naphthyl)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
• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 1-(6-methyl-4-oxochromen-3-yl)-N-phenylmethanimine oxide 以 乙醇 为溶剂， 反应 0.33h， 以87%的产率得到2,2-dimethyl-5-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Kumar, Dhruva; Suresh; Sandhu, Jagir S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 8, p. 1157 - 1160

  摘要：

  DOI：

文献信息

• Suresh; Kumar, Dhruva; Sandhu, Jagir S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012, vol. 51, # 12, p. 1743 - 1748
  作者：Suresh、Kumar, Dhruva、Sandhu, Jagir S.

  DOI：——

  日期：——