4-ethoxy-1,1,1-trifluoro-4-methoxybut-3-en-2-one | 1544273-27-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-ethoxy-1,1,1-trifluoro-4-methoxybut-3-en-2-one
• CAS: 1544273-27-9
• 化学式: C₇H₉F₃O₃
• 分子量: 198.142
• InChiKey: FVSRJNKHABKKIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-ethoxy-1,1,1-trifluoro-4-methoxybut-3-en-2-one 、 以 乙醇 为溶剂， 反应 16.0h， 以75%的产率得到5-[(3-ethoxy-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl)-1-propan-1-one-3-yl]-2-methyl-7-trifluoromethylpyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Efficient Synthesis of New Biheterocyclic 5-[(5-Trifluoromethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl)-1-propan-1-one-3-yl]-2-methyl-7-trifluoromethylpyrazolo[1,5-α]pyrimidines

  摘要：

  DOI：

  10.5935/0103-5053.20140126

文献信息

• From Levulinic Acid to Biheterocycles: Synthesis of 1-[(5-Hydroxy-5-trifluoromethyl-3-substituted-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-3-(5-trifluoromethyl-1<i>H-</i>pyrazol-3-yl)propan-1-ones
  作者：Alex F. C. Flores、Juliana L. Malavolta、Leandro M. Frigo、Morgana Doneda、Darlene C. Flores

  DOI：10.1080/00397911.2014.1003352

  日期：2015.5.19

  We develop an efficient method to synthesize novel propionyl-spaced bisheterocyclic compounds. It entails cyclocondensation of 3-(5-trifluoromethyl-1H-pyrazol-3-yl)propanoyl hydrazide obtained from levulinic acid, with 1,1,1-trifluoro-4methoxy-3-alken-2-ones proceeding regiospecifically to 1-[(5-trifluoromethyl-5-hydroxy3-substituted-4,5-dihydro-1H-pyrazol-1-yl)-3-(5-trifluoromethyl-1H-pyrazol-3-yl)propan- I-one derivatives.
• Efficient synthesis of new biheterocyclic 1-(5-hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-yl)-3-(6-trifluoro methylpyrimidin-4-yl)-propan-1-ones
  作者：Juliana L. Malavolta、Alynne A. Souto、Debora L. de Mello、Darlene C. Flores、Alex F.C. Flores

  DOI：10.1016/j.jfluchem.2013.11.014

  日期：2014.2

  Several new 1-(5-hydroxy-5-trifluoromethyl-1H-pyrazol-1-yl)-3-(6-trifluoromethyl pyrimidin-4-yl)-propan-1-ones were prepared by cyclocondensation between two different 3-[6-trifluoromethyl-2(substituted)pyrimidin-4-yl]propanoylhydrazides derived from levulinic acid and versatile 1,1,1-trifluoro-4-alkoxy-3-alken-2-ones. The structure of new propionyl-spaced bis trifluoromethylated biheterocycles was characterized based on H-1 and C-13 nuclear magnetic resonance spectroscopy and mass spectrometry data. (C) 2013 Elsevier B.V. All rights reserved.