ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate | 352555-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
• 英文别名: Ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate；ethyl 2,5-dimethyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate
• CAS: 352555-44-3
• 化学式: C₁₁H₁₂N₂O₃S
• 分子量: 252.294
• InChiKey: LAMJWBNMYBKVCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 2,5-dimethyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]-N-phenethyl-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxamide
  参考文献：
  名称：

  摘要：

  The reactions of ethyl 3-amino-4-carbamoyl-5-methylthiophene-2-carboxylate with 1,3-dicarbonyl compounds were studied. During the reactions, the corresponding ketone is eliminated to give ethyl 5-methyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylates.

  DOI：

  10.1023/a:1021356603146
• 作为产物：
  描述：

  ethyl 3-amino-4-carbamoyl-5-methylthiophene-2-carboxylate 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 54.0h， 生成 ethyl 2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
  参考文献：
  名称：

  摘要：

  The reactions of ethyl 3-amino-4-carbamoyl-5-methylthiophene-2-carboxylate with 1,3-dicarbonyl compounds were studied. During the reactions, the corresponding ketone is eliminated to give ethyl 5-methyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylates.

  DOI：

  10.1023/a:1021356603146

文献信息

• ——
  作者：S. A. Ryndina、A. V. Kadushkin、N. P. Solov"eva、V. G. Granik

  DOI：10.1023/a:1021356603146

  日期：——

  The reactions of ethyl 3-amino-4-carbamoyl-5-methylthiophene-2-carboxylate with 1,3-dicarbonyl compounds were studied. During the reactions, the corresponding ketone is eliminated to give ethyl 5-methyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylates.