ethyl 6-(((3,5-dichlorophenyl)(methyl)amino)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate | 1364822-62-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 6-(((3,5-dichlorophenyl)(methyl)amino)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• 英文别名: ethyl 6-[(3,5-dichloro-N-methylanilino)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• CAS: 1364822-62-7
• 化学式: C₂₁H₂₁Cl₂N₃O₃
• 分子量: 434.322
• InChiKey: SCKHKIXFPCPVHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 在 碳酸氢钠 、 对甲苯磺酸 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 40.0h， 生成 ethyl 6-(((3,5-dichlorophenyl)(methyl)amino)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Direct Amination of γ-Halo-β-ketoesters with Anilines

  摘要：

  The direct amination of alpha-haloacetoacetates with anilines is described. Compared to existing methods, this simple protocol provides an attractive strategy to prepare diverse gamma-anilino-beta-ketoesters in one step. Good to excellent yields of the amination products were obtained under robust conditions, providing versatile and useful scaffolds.

  DOI：

  10.1021/jo300239e

文献信息

• Direct Amination of γ-Halo-β-ketoesters with Anilines
  作者：Yinan Zhang、Richard B. Silverman

  DOI：10.1021/jo300239e

  日期：2012.4.6

  The direct amination of alpha-haloacetoacetates with anilines is described. Compared to existing methods, this simple protocol provides an attractive strategy to prepare diverse gamma-anilino-beta-ketoesters in one step. Good to excellent yields of the amination products were obtained under robust conditions, providing versatile and useful scaffolds.