1-(4-(1-(2,4-difluorophenyl)-3-isopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl)ethanone | 1263816-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-(1-(2,4-difluorophenyl)-3-isopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl)ethanone
• 英文别名: 1-{4-[2-(2,4-difluoro-phenyl)-5-isopropyl-2H-[1,2,4]triazol-3-yl]-piperidin-1-yl}-ethanone；1-[4-[2-(2,4-Difluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
• CAS: 1263816-16-5
• 化学式: C₁₈H₂₂F₂N₄O
• 分子量: 348.396
• InChiKey: NDKWLJSMKQPEQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-乙酰基-4-哌啶甲酸 在 溶剂黄146 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 1-(4-(1-(2,4-difluorophenyl)-3-isopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl)ethanone
  参考文献：
  名称：

  Rapid Synthesis of 1,3,5-Substituted 1,2,4-Triazoles from Carboxylic Acids, Amidines, and Hydrazines

  摘要：

  A general method for the synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed from reaction of carboxylic acids, primary amidines, and monosubstituted hydrazines. This highly regioselective and one-pot process provides rapid access to highly diverse triazoles.

  DOI：

  10.1021/jo1023393

文献信息

• Rapid Synthesis of 1,3,5-Substituted 1,2,4-Triazoles from Carboxylic Acids, Amidines, and Hydrazines
  作者：Georgette M. Castanedo、Pamela S. Seng、Nicole Blaquiere、Sean Trapp、Steven T. Staben

  DOI：10.1021/jo1023393

  日期：2011.2.18

  A general method for the synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed from reaction of carboxylic acids, primary amidines, and monosubstituted hydrazines. This highly regioselective and one-pot process provides rapid access to highly diverse triazoles.