Methyl 1-benzyl-5-cyano-4-(3-nitrophenyl)-6-oxopyridine-3-carboxylate | 1312204-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl 1-benzyl-5-cyano-4-(3-nitrophenyl)-6-oxopyridine-3-carboxylate
• 英文别名: methyl 1-benzyl-5-cyano-4-(3-nitrophenyl)-6-oxopyridine-3-carboxylate
• CAS: 1312204-98-0
• 化学式: C₂₁H₁₅N₃O₅
• 分子量: 389.367
• InChiKey: CKRMTUSDMLSZGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苄胺 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 Methyl 1-benzyl-5-cyano-4-(3-nitrophenyl)-6-oxopyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis of Functionalized 2-Aminohydropyridines and 2-Pyridinones via Domino Reactions of Arylamines, Methyl Propiolate, Aromatic Aldehydes, and Substituted Acetonitriles

  摘要：

  An efficient and practical synthetic method for the functionalized 2-amino hydropyridines and 2-pyridinones was successfully developed via the domino reactions of arylamines, methyl propiolate, aromatic aldehydes and the substituted acetonitriles with triethylamine as base catalyst. Reactions involving malononitrile and cyanoacetamide gave exclusively the 2-aminohydropyridines. On the other hand ethyl cyanoacetate resulted in the 2-pyridinones as main products.

  DOI：

  10.1021/co200071v

文献信息

• Synthesis of Functionalized 2-Aminohydropyridines and 2-Pyridinones via Domino Reactions of Arylamines, Methyl Propiolate, Aromatic Aldehydes, and Substituted Acetonitriles
  作者：Jing Sun、Yan Sun、Er-Yan Xia、Chao-Guo Yan

  DOI：10.1021/co200071v

  日期：2011.7.11

  An efficient and practical synthetic method for the functionalized 2-amino hydropyridines and 2-pyridinones was successfully developed via the domino reactions of arylamines, methyl propiolate, aromatic aldehydes and the substituted acetonitriles with triethylamine as base catalyst. Reactions involving malononitrile and cyanoacetamide gave exclusively the 2-aminohydropyridines. On the other hand ethyl cyanoacetate resulted in the 2-pyridinones as main products.