N,1-bis(4-methoxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide | 1436966-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,1-bis(4-methoxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide
• 英文别名: N,1-bis(4-methoxyphenyl)-4-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• CAS: 1436966-16-3
• 化学式: C₂₁H₁₇F₃N₂O₄
• 分子量: 418.372
• InChiKey: IZFMJOAJNZEDNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-cyano-6-(trifluoromethyl)-4-pyrone 以 乙醇 、 甲苯 为溶剂， 反应 24.0h， 生成 N,1-bis(4-methoxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxamide
  参考文献：
  名称：

  A novel, two-step synthesis of 4-pyridone-3-carboxamides from 2-cyano-4-pyrones

  摘要：

  Reactions of 2-cyano-6-(trifluoromethyl)-4-pyrone, 2-cyano-4-pyrone, and 2-cyano-6-methyl-4-pyrone with aliphatic and aromatic amines in ethanol at -20 degrees C for 2-21 days gave 5-amino-3-oxopent-4-enamides in 28-78% yields, which were cyclized with DMF-DMA in toluene under ambient conditions to afford 4-pyridone-3-carboxamides in 31-70% yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.132

文献信息

• A novel, two-step synthesis of 4-pyridone-3-carboxamides from 2-cyano-4-pyrones
  作者：Dmitrii L. Obydennov、Ekaterina S. Sidorova、Boris I. Usachev、Vyacheslav Ya. Sosnovskikh

  DOI：10.1016/j.tetlet.2013.03.132

  日期：2013.6

  Reactions of 2-cyano-6-(trifluoromethyl)-4-pyrone, 2-cyano-4-pyrone, and 2-cyano-6-methyl-4-pyrone with aliphatic and aromatic amines in ethanol at -20 degrees C for 2-21 days gave 5-amino-3-oxopent-4-enamides in 28-78% yields, which were cyclized with DMF-DMA in toluene under ambient conditions to afford 4-pyridone-3-carboxamides in 31-70% yields. (C) 2013 Elsevier Ltd. All rights reserved.