N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-α-alanine ethyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-α-alanine ethyl ester
• 英文别名: Ethyl 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanoate
• 化学式: C₁₄H₁₅F₆NO₃
• 分子量: 359.268
• InChiKey: FJXNXLYTCBDMME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-α-alanine ethyl ester 以 苯 为溶剂， 反应 18.0h， 以90%的产率得到N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-N-acetyl-α-alanine ethyl ester
  参考文献：
  名称：

  Hexafluoroacetone and methyl trifluoropyruvate as precursors of modified esters of N-acyl-N-phenyl-?-amino acids

  摘要：

  The C-oxyalkylation of N-aryl-alpha-amino acids by hexafluoroacetone (1) and methyl trifluoropyruvate (2), followed by acylation of the products 3-13, 15, and 17 formed, was carried out. The activity of the synthesized anilides against pathogens of plant fungus diseases was studied.

  DOI：

  10.1007/bf00864339
• 作为产物：
  描述：

  2-苯基氨基丙酸乙酯 、 六氟丙酮 以 1,1,2-三氯三氟乙烷（CFC-113） 为溶剂， 反应 286.0h， 以70%的产率得到N-<4-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)phenyl>-α-alanine ethyl ester
  参考文献：
  名称：

  Hexafluoroacetone and methyl trifluoropyruvate as precursors of modified esters of N-acyl-N-phenyl-?-amino acids

  摘要：

  The C-oxyalkylation of N-aryl-alpha-amino acids by hexafluoroacetone (1) and methyl trifluoropyruvate (2), followed by acylation of the products 3-13, 15, and 17 formed, was carried out. The activity of the synthesized anilides against pathogens of plant fungus diseases was studied.

  DOI：

  10.1007/bf00864339