5-amino-4-cyano-N-(cyclopropylcarbamoyl)-3-phenyl-2,3-dihydrothiophene-2-carboxamide | 1446847-09-1

• 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: 5-amino-4-cyano-N-(cyclopropylcarbamoyl)-3-phenyl-2,3-dihydrothiophene-2-carboxamide
• CAS: 1446847-09-1
• 化学式: C₁₆H₁₆N₄O₂S
• 分子量: 328.395
• InChiKey: RDUSZDWVOPVTMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  108.01
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,4-噻唑烷二酮 、 苯甲醛 、 环丙胺 、 丙二腈 以 乙醇 为溶剂， 反应 2.0h， 以85%的产率得到5-amino-4-cyano-N-(cyclopropylcarbamoyl)-3-phenyl-2,3-dihydrothiophene-2-carboxamide
  参考文献：
  名称：

  Efficient Preparation of 5-Amino-4-cyano-N-(cyclopropylcarbamoyl)-3-aryl-2,3-dihydrothiophene-2-carboxamide Derivatives Without Using Any Other Catalysts

  摘要：

  An efficient synthesis of 5-amino-4-cyano-N-(cyclopropylcarbamoyl)-3-aryl-2,3-dihydrothiophene-2-carboxamide derivatives by the reaction of thiazolidine-2,4-dione, aromatic aldehydes, malononitrile, and cyclopropylamine has been reported. This reaction could be carried out smoothly without using any other catalysts in anhydrous ethanol. The advantages of this procure were good yields, short reaction time, and mild reaction conditions. Moreover, the purification process of products was very simple. The products could be gained only as the reactants were cooled under room temperature, and the precipitate could be brought out. These precipitate only need to filter out, without further purification. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.721919