6-(4-chlorophenyl)-2-methyl-4-(2-nitrophenyl)nicotinamide | 1398101-57-9

• 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: 6-(4-chlorophenyl)-2-methyl-4-(2-nitrophenyl)nicotinamide
• 英文别名: 6-(4-Chlorophenyl)-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxamide；6-(4-chlorophenyl)-2-methyl-4-(2-nitrophenyl)pyridine-3-carboxamide
• CAS: 1398101-57-9
• 化学式: C₁₉H₁₄ClN₃O₃
• 分子量: 367.791
• InChiKey: WKVFSRJRQREEJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰乙酰胺 、 3-(2-nitrophenyl)-1-(4-chlorophenyl)prop-2-en-1-one 在 ammonium cerium (IV) nitrate 、 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 15.0h， 以85%的产率得到6-(4-chlorophenyl)-2-methyl-4-(2-nitrophenyl)nicotinamide
  参考文献：
  名称：

  One-Pot Access to a Library of Structurally Diverse Nicotinamide Derivatives via a Three-Component Formal Aza [3 + 3] Cycloaddition

  摘要：

  The three-component formal [3 + 3] aza-annulation between chalcones, beta-ketoamides, and ammonium acetate in the presence of CAN as a Lewis acid affords good to excellent yields of highly substituted nicotinamides or their fused derivatives. This transformation leads to the formation of one C-C and two C-N bonds in a single synthetic operation and involves up to five individual steps.

  DOI：

  10.1021/co300081k

文献信息

• One-Pot Access to a Library of Structurally Diverse Nicotinamide Derivatives via a Three-Component Formal Aza [3 + 3] Cycloaddition
  作者：Giammarco Tenti、M Teresa Ramos、J. Carlos Menéndez

  DOI：10.1021/co300081k

  日期：2012.10.8

  The three-component formal [3 + 3] aza-annulation between chalcones, beta-ketoamides, and ammonium acetate in the presence of CAN as a Lewis acid affords good to excellent yields of highly substituted nicotinamides or their fused derivatives. This transformation leads to the formation of one C-C and two C-N bonds in a single synthetic operation and involves up to five individual steps.