1,1,1-trifluoro-5-nitro-4-(2-thienyl)pentan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1,1,1-trifluoro-5-nitro-4-(2-thienyl)pentan-2-one
• 英文别名: 1,1,1-Trifluoro-5-nitro-4-thiophen-2-ylpentan-2-one；1,1,1-trifluoro-5-nitro-4-thiophen-2-ylpentan-2-one
• 化学式: C₉H₈F₃NO₃S
• 分子量: 267.229
• InChiKey: XLPLUMVKCAJGIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  硝基乙酸乙酯 、 (E)-1,1,1-trifluoro-4-(thiophen-2-yl)but-3-en-2-one 在 potassium fluoride 作用下， 以 乙醇 、 水 为溶剂， 以99%的产率得到1,1,1-trifluoro-5-nitro-4-(2-thienyl)pentan-2-one
  参考文献：
  名称：

  Reactions of CF3-enones with ethyl nitroacetate and nitromethane: synthesis of CF3-γ-nitroketones

  摘要：

  Reactions of alpha,beta-unsaturated CF3-ketones with nitromethane and ethyl nitroacetate have been investigated. We found that alpha,beta-unsaturated trifluoromethylketones react with ethyl nitroacetate in the presence of calcinated potassium fluoride to form two classes of 1,4-conjugated addition products: CF3-gamma-nitroketones and 6,6,6-trifluoro-2-nitro-5-oxohexanoates in nearly quantitative yields. The products obtained are precursors for CF3-pyrrolidine synthesis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.095

文献信息

• Reactions of CF3-enones with ethyl nitroacetate and nitromethane: synthesis of CF3-γ-nitroketones
  作者：Valentine G. Nenajdenko、Sergey V. Druzhinin、Elizabeth S. Balenkova

  DOI：10.1016/j.tetlet.2005.10.095

  日期：2005.12

  Reactions of alpha,beta-unsaturated CF3-ketones with nitromethane and ethyl nitroacetate have been investigated. We found that alpha,beta-unsaturated trifluoromethylketones react with ethyl nitroacetate in the presence of calcinated potassium fluoride to form two classes of 1,4-conjugated addition products: CF3-gamma-nitroketones and 6,6,6-trifluoro-2-nitro-5-oxohexanoates in nearly quantitative yields. The products obtained are precursors for CF3-pyrrolidine synthesis. (c) 2005 Elsevier Ltd. All rights reserved.