| 1421638-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1421638-09-6
• 化学式: C₁₄H₁₁F₂NO
• 分子量: 247.244
• InChiKey: VGAQPCZNRDTAPW-YVLHZVERSA-N

物化性质

• 沸点：
  380.4±52.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 苯丙炔酸甲酯 以 neat (no solvent) 为溶剂， 反应 0.6h， 以88%的产率得到
  参考文献：
  名称：

  An efficient ecofriendly protocol for the synthesis of novel fluoro isoxazoline and isoxazolidines using N-benzyl fluoro nitrone via cycloaddition reactions

  摘要：

  1-Butyl-3-methylimidazolium based ionic liquids are found to accelerate significantly the intermolecular 1,3-dipolar cycloaddition of N-benzyl fluoro nitrones derived in situ from aldehydes and benzylhydroxylamine, with electron deficient alkynes to afford enhanced rates and improved yields of isoxazolines while with enals exclusively endo isoxazolidines are obtained with high selectivity. Synthetic potentiality of the novel isoxazolines and nitrones has also been tested successfully. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.111
• 作为产物：
  描述：

  3,4-二氟苯甲醛 、 N-苄基羟胺 在 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 以 neat (no solvent) 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  An efficient ecofriendly protocol for the synthesis of novel fluoro isoxazoline and isoxazolidines using N-benzyl fluoro nitrone via cycloaddition reactions

  摘要：

  1-Butyl-3-methylimidazolium based ionic liquids are found to accelerate significantly the intermolecular 1,3-dipolar cycloaddition of N-benzyl fluoro nitrones derived in situ from aldehydes and benzylhydroxylamine, with electron deficient alkynes to afford enhanced rates and improved yields of isoxazolines while with enals exclusively endo isoxazolidines are obtained with high selectivity. Synthetic potentiality of the novel isoxazolines and nitrones has also been tested successfully. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.111