ethyl 2-(ethoxycarbonylmethyl)-5-methyl-4-oxo-2-phenyl-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate

• 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-(ethoxycarbonylmethyl)-5-methyl-4-oxo-2-phenyl-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
• 英文别名: Ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-4-oxo-2-phenyl-1,3-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
• 化学式: C₂₀H₂₂N₂O₅S
• 分子量: 402.471
• InChiKey: BIJBEAXGSYRXQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯甲酰乙酸乙酯 、 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 5.0h， 以50%的产率得到ethyl 2-(ethoxycarbonylmethyl)-5-methyl-4-oxo-2-phenyl-1,2,3,4-tetrahydrothieno[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.