4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-N-(2,3-xylyl)anthranilic acid | 134538-79-7

• 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: 4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-N-(2,3-xylyl)anthranilic acid
• 英文别名: 2-(2,3-Dimethylanilino)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid
• CAS: 134538-79-7
• 化学式: C₁₈H₁₅F₆NO₃
• 分子量: 407.312
• InChiKey: GQQYNEONBKCSAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  甲芬那酸钠 、 六氟丙酮 在 水 作用下， 反应 96.0h， 以93%的产率得到4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-N-(2,3-xylyl)anthranilic acid
  参考文献：
  名称：

  Reactions of diarylamines with hexafluoroacetone

  摘要：

  Diphenylamine reacts with hexafluoroacetone to give a mixture of products, of which 2-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)diphenylamine (II) was isolated. N-Arylanthranilic acids modify the 1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl group upon the reaction of its sodium salt with the hydrate of hexafluoroacetone (I) under mild conditions. This method gave 4-(1-hydroxy-1-trifluoromethyl-2,2,3-trifluoromethyl)-N-(2,3-xylyl)anthranilic acid from N-(2,3-xylyl)anthranilic acid in 93% yield.

  DOI：

  10.1007/bf00958589

文献信息

• SVIRIDOV, V. D.;CHKANIKOV, N. D.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 952-954
  作者：SVIRIDOV, V. D.、CHKANIKOV, N. D.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——
• Reactions of diarylamines with hexafluoroacetone
  作者：V. D. Sviridov、N. D. Chkanikov、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00958589

  日期：1991.4

  Diphenylamine reacts with hexafluoroacetone to give a mixture of products, of which 2-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)diphenylamine (II) was isolated. N-Arylanthranilic acids modify the 1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl group upon the reaction of its sodium salt with the hydrate of hexafluoroacetone (I) under mild conditions. This method gave 4-(1-hydroxy-1-trifluoromethyl-2,2,3-trifluoromethyl)-N-(2,3-xylyl)anthranilic acid from N-(2,3-xylyl)anthranilic acid in 93% yield.