2,3-Dimethyl-6-trifluoromethyl-pyran-4-one | 204516-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2,3-Dimethyl-6-trifluoromethyl-pyran-4-one
• 英文别名: 2,3-Dimethyl-6-(trifluoromethyl)pyran-4-one
• CAS: 204516-26-7
• 化学式: C₈H₇F₃O₂
• 分子量: 192.138
• InChiKey: CHWVRMYUCIUQHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3-Dimethyl-6-trifluoromethyl-pyran-4-one 在 ammonium hydroxide 作用下， 以 异丙醇 为溶剂， 以94%的产率得到5,6-dimethyl-2-(trifluoromethyl)-4-pyridinol
  参考文献：
  名称：

  Synthesis of 5-alkyl-4-amino-2-(trifluoromethyl)pyridines and their transformation into trifluoromethylated 1 H -pyrazolo[4,3- c ]pyridines

  摘要：

  5-Alkyl-4-amino-2-(trifluoromethyl)pyridines were prepared in good yields starting from the corresponding pyridinols either using condensation with tosyl isocyanate or by alkylation with 2-chloroacetamide and subsequent Smiles type rearrangement. The cyclisation of diazonium salts, generated from 5-alkyl-4-amino-2-(trifluoromethyl)pyridines afforded trifluoromethylated 1H-pyrazolo[4,3-c] pyri dines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00024-2
• 作为产物：
  描述：

  (2S,3S)-3-Hydroxy-2,3-dimethyl-6-trifluoromethyl-2,3-dihydro-pyran-4-one 在 吡啶 、 磺酰氯 作用下， 生成 2,3-Dimethyl-6-trifluoromethyl-pyran-4-one 、 (2R,3S)-3-Chloro-2,3-dimethyl-6-trifluoromethyl-2,3-dihydro-pyran-4-one
  参考文献：
  名称：

  New synthetic approaches to 2-perfluoroalkyl-4H-pyran-4-ones

  摘要：

  A convenient synthesis of 5-substituted 2-perfluoroalkyl-4H-pyran-4-ones by dehydration of 2,3-dihydro-3-hydroxy-6-perfluoroalkyl-4H-pyran-4-ones is described. The 6-substituted and parent 2-perfluoroalkyl-4H-pyran-4-ones have been more successfully prepared using the condensation of alkyl enol ethers, derived from beta-dicarbonyl compounds, with ethyl perfluoroalkanoates. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)83018-4