Ethyl 3-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate | 352555-49-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ethyl 3-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
• 英文别名: ethyl 3-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate
• CAS: 352555-49-8
• 化学式: C₁₅H₁₈N₂O₅S
• 分子量: 338.384
• InChiKey: PTCACISJZOMMEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 3-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate 在 镍 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以63%的产率得到ethyl 4-(ethoxycarbonylmethyl)-5-ethyl-2-methyl-6-oxo-1,6-dihydropyrimidin-1-ylacetate
  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 potassium carbonate 、 对甲苯磺酸 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 34.0h， 生成 Ethyl 3-(2-ethoxy-2-oxoethyl)-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.