methyl 3,3-dimethyl-4-oxo-4-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenylamino)butanoate | 1257521-69-9

• 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: methyl 3,3-dimethyl-4-oxo-4-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenylamino)butanoate
• CAS: 1257521-69-9
• 化学式: C₁₄H₁₂F₇NO₃
• 分子量: 375.243
• InChiKey: ZYNSWNPCASMZLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-(2,3,5,6-四氟-4-(三氟甲基)苯基)吡咯烷-2,5-二酮 在 甲醇 、 sodium methylate 作用下， 反应 6.0h， 生成 methyl 2,2-dimethyl-4-oxo-4-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenylamino)butanoate 、 methyl 3,3-dimethyl-4-oxo-4-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenylamino)butanoate
  参考文献：
  名称：

  Pd(II)-Catalyzed Carbonylation of C(sp³)−H Bonds: A New Entry to 1,4-Dicarbonyl Compounds

  摘要：

  Pd(II)-catalyzed beta-C(sp(3))-H carbonylation of N-arylamides under CO (1 atm) has been achieved. Following amide-directed C(sp(3))-H cleavage and insertion of CO into the resulting [Pd(II)-C(sp(3))] bond, intramolecular C-N reductive elimination gave the corresponding succinimides, which could be readily converted to 1,4-dicarbonyl compounds. This method was found to be effective with substrates containing alpha-hydrogen atoms and could be applied to effect methylene C(sp(3))-H carbonylation of cyclopropanes.

  DOI：

  10.1021/ja108754f