(E)-ethyl 2-((ethynylamino)methylene)-3-oxobutanoate | 1275588-45-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (E)-ethyl 2-((ethynylamino)methylene)-3-oxobutanoate
• 英文别名: ethyl (2E)-3-oxo-2-[(prop-2-ynylamino)methylidene]butanoate
• CAS: 1275588-45-8
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: VSLVTWPZSLZHSR-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ethyl 2-(1,3-dithian-2-yl)-3-oxobutanoate 、 炔丙胺 在 iron(III) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以85%的产率得到(E)-ethyl 2-((ethynylamino)methylene)-3-oxobutanoate
  参考文献：
  名称：

  Iron-Catalyzed Aminolysis of β-Carbonyl 1,3-Dithianes: Synthesis of Stereodefined β-Enaminones and 3,4-Disubstituted Pyrazoles

  摘要：

  A novel iron-catalyzed aminolysis of beta-carbonyl 1,3-dithianes with various amines including ammonia, primary and secondary amines, as well as hydrazine hydrate has been developed, leading to the synthesis of steleodefined beta-enaminones and 3,4-disubstituted pyrazoles in good to high yields.

  DOI：

  10.1021/ol200246x

文献信息

• Iron-Catalyzed Aminolysis of β-Carbonyl 1,3-Dithianes: Synthesis of Stereodefined β-Enaminones and 3,4-Disubstituted Pyrazoles
  作者：Yeming Wang、Xihe Bi、Wei-Qi Li、Dehua Li、Qian Zhang、Qun Liu、Brim Stevy Ondon

  DOI：10.1021/ol200246x

  日期：2011.4.1

  A novel iron-catalyzed aminolysis of beta-carbonyl 1,3-dithianes with various amines including ammonia, primary and secondary amines, as well as hydrazine hydrate has been developed, leading to the synthesis of steleodefined beta-enaminones and 3,4-disubstituted pyrazoles in good to high yields.