1,3-dimethyl-4-morpholino-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxamide | 1465827-52-4

• 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: 1,3-dimethyl-4-morpholino-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxamide
• 英文别名: 2,5-dimethyl-4-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• CAS: 1465827-52-4
• 化学式: C₁₇H₁₅F₇N₄O₂
• 分子量: 440.321
• InChiKey: MHPNUXWBKINYDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1,3-dimethyl-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxamide 、 N-benzoyloxylmorpholine 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 36.0h， 以71%的产率得到1,3-dimethyl-4-morpholino-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Ru(II)-Catalyzed ortho-C–H Amination of Arenes and Heteroarenes at Room Temperature

  摘要：

  The Rupp-catalyzed ortho-C-H amination directed by a weakly coordinating amide auxiliary with O-benzoyl hydroxylamines at room temperature has been achieved. This reaction is compatible with heterocycles including pyrazole, thiophene, benzothiophene, furan, benzofuran, and indole.

  DOI：

  10.1021/ol402515s

文献信息

• Ru(II)-Catalyzed <i>ortho</i>-C–H Amination of Arenes and Heteroarenes at Room Temperature
  作者：Ming Shang、Shao-Hang Zeng、Shang-Zheng Sun、Hui-Xiong Dai、Jin-Quan Yu

  DOI：10.1021/ol402515s

  日期：2013.10.18

  The Rupp-catalyzed ortho-C-H amination directed by a weakly coordinating amide auxiliary with O-benzoyl hydroxylamines at room temperature has been achieved. This reaction is compatible with heterocycles including pyrazole, thiophene, benzothiophene, furan, benzofuran, and indole.