1-(2-乙氧基四氢-3-呋喃基)-2,2,2-三氟乙烷酮 | 333339-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 中文名称: 1-(2-乙氧基四氢-3-呋喃基)-2,2,2-三氟乙烷酮
• 英文名称: 1-(2-Ethoxy-tetrahydro-furan-3-yl)-2,2,2-trifluoro-ethanone
• 英文别名: 1-(2-Ethoxyoxolan-3-yl)-2,2,2-trifluoroethan-1-one；1-(2-ethoxyoxolan-3-yl)-2,2,2-trifluoroethanone
• CAS: 333339-73-4
• 化学式: C₈H₁₁F₃O₃
• 分子量: 212.169
• InChiKey: YTCOZQWOBHJIHG-UHFFFAOYSA-N

物化性质

• 沸点：
  211.8±40.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙醇 、 2,3-二氢-4-三氟乙酰基呋喃 在 sodium azide 作用下， 反应 1.33h， 生成 1-(2-乙氧基四氢-3-呋喃基)-2,2,2-三氟乙烷酮 、 1-(2-Ethoxy-tetrahydro-furan-3-yl)-2,2,2-trifluoro-ethane-1,1-diol
  参考文献：
  名称：

  Synthesis of novel trifluoromethylated β-acetal-diols and their application to the synthesis of 3-ethoxy-5-hydroxy-5-trifluoromethyl-pyrrolidin-2-one

  摘要：

  The synthesis of a series of novel trifluoromethylated beta -acetal-gem-diols, 4-alkoxy-4-ethoxy-1,1,1-trifluoro-butane-2,2-diols (4a = methoxy, 4b = ethoxy, 4c = allyloxy, 4d = ynyloxy) and 1-(2-alkoxytetrahydro-furan-3-yl)-2,2,2-trifluoro-ethane-1,1-diols diols (6a = methoxy, 6b = ethoxy, 6c = allyloxy, 6d = ynyloxy) from the reaction of 4-ethoxy-1,1,1-trifluoro-3-buten-2-one (1) and 1-(4,5-dihydrofuran-3-yl)-2,2,2-trifluoro-ethanone (2) with sodium azide in hydro-alcoholic medium, is presented. From these reactions, a small amount (ca. of 20%) of the parent trifluoromethylated beta -acetal-ketones, 4-alkoxy-4-ethoxy-1,1,1 -trifluoro-butan-2-ones (3a-d) and 2,2,2-trifluorol-(2-alkoxy-tetrahydro-furan-3-yl)-ethanones (5a-d) were also obtained. The synthetic potential of the trifluoromethylated P-acetal-diols was demonstrated by its application to the synthesis of 3-ethoxy-5-hydroxy-5-trifluoromethyl-pyrrolidin-2-one (7). (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(00)00386-9