3-oxo-3-phenyl-1-(2-chloro-1,1,2-trifluoroethoxy)propionaldehyde oxime | 1522358-67-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-oxo-3-phenyl-1-(2-chloro-1,1,2-trifluoroethoxy)propionaldehyde oxime
• CAS: 1522358-67-3
• 化学式: C₁₁H₉ClF₃NO₃
• 分子量: 295.646
• InChiKey: LSKLYLFZMPDCMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.89
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-oxo-3-phenyl-1-(2-chloro-1,1,2-trifluoroethoxy)propionaldehyde oxime 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 15.0h， 以82%的产率得到5-(2-chloro-1,1,2-trifluoroethoxy)-4-phenylisoxazole
  参考文献：
  名称：

  Polyfluoro- and perfluoroalkoxyenaminones in syntheses of nitrogen containing heterocycles

  摘要：

  2-Fluoroalkoxyenaminones were synthesized from alpha-fluoroalkoxyacetophenones and dimethylformamide dimethylacetal in almost quantitative yields. These compounds are promising aliphatic precursors for fluoroalkoxy containing heterocycles construction that was proved by reactions with hydrazine, hydroxylamine and amidines yielding corresponding pyrazoles, isoxazoles and pyrimidines. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.11.007
• 作为产物：
  描述：

  phenyl[(2-chloro-1,1,2-trifluoroethoxy)methyl]ketone 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成 3-oxo-3-phenyl-1-(2-chloro-1,1,2-trifluoroethoxy)propionaldehyde oxime
  参考文献：
  名称：

  Polyfluoro- and perfluoroalkoxyenaminones in syntheses of nitrogen containing heterocycles

  摘要：

  2-Fluoroalkoxyenaminones were synthesized from alpha-fluoroalkoxyacetophenones and dimethylformamide dimethylacetal in almost quantitative yields. These compounds are promising aliphatic precursors for fluoroalkoxy containing heterocycles construction that was proved by reactions with hydrazine, hydroxylamine and amidines yielding corresponding pyrazoles, isoxazoles and pyrimidines. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.11.007