methyl ester of 2-hydroxy-2-ethoxytrifluoropropionic acid | 26210-05-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl ester of 2-hydroxy-2-ethoxytrifluoropropionic acid
• 英文别名: methyl 2-ethoxy-3,3,3-trifluoro-2-hydroxypropanoate
• CAS: 26210-05-9
• 化学式: C₆H₉F₃O₄
• 分子量: 202.13
• InChiKey: FXUHNEOSMJUVHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  乙醇 、 三氟丙酮酸甲酯 以 乙醚 为溶剂， 生成 methyl ester of 2-hydroxy-2-ethoxytrifluoropropionic acid
  参考文献：
  名称：

  Methyl 3,3,3-trifluoropyruvate: an improved procedure starting from hexafluoropropene-1,2-oxide; identification of byproducts

  摘要：

  Optimized laboratory-scale preparation of methyl 3,3,3-trifluoropyruvate (3, MTFP) has been developed starting from industrial hexafluoropropene-1,2-oxide (1, HFPO) via methyl 2,3,3,3-tetrafluoro-2-methoxypropanoate (2, MTPr), which was transformed to 3 using sulfuric acid with isolated yields up to 81%. Byproducts formed in the transformation of 2 to 3, viz. methyl trifluoroacetate (4, MTAc), methyl 3,3,3-trifluoropyruvate hydrate (5), methyl hemiacetal of trifluoropyruvate (6), a dimer of methyl 3,3,3-trifluoropyruvate hydrate (7, DimMTP), and methyl fluorosulfate (8, Sulf) were identified and their amounts determined under various experimental conditions. Potential reaction pathways leading to the formation of the byproducts are discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00007-6

文献信息

• Cycloaddition reactions of the methyl ester of trifluoropyruvic acid
  作者：A. S. Golubev、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00962669

  日期：1988.1
• GOLUBEV, A. S.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1988) N 1, 127-132
  作者：GOLUBEV, A. S.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——