ethyl 4-((4-acetylphenyl)(methyl)amino)-3-oxobutanoate | 1364822-67-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 4-((4-acetylphenyl)(methyl)amino)-3-oxobutanoate
• 英文别名: ethyl 4-(4-acetyl-N-methylanilino)-3-oxobutanoate
• CAS: 1364822-67-2
• 化学式: C₁₅H₁₉NO₄
• 分子量: 277.32
• InChiKey: ZSMCBIABVPHETQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 、 4-N-甲基氨基苯乙酮 在 碳酸氢钠 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以79%的产率得到ethyl 4-((4-acetylphenyl)(methyl)amino)-3-oxobutanoate
  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.