5-methyl-2-(3-trifluoromethyl-phenyl)-4,5-dihydro-oxazole | 1092075-12-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-methyl-2-(3-trifluoromethyl-phenyl)-4,5-dihydro-oxazole
• 英文别名: 5-Methyl-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
• CAS: 1092075-12-1
• 化学式: C₁₁H₁₀F₃NO
• 分子量: 229.202
• InChiKey: WTSQUBBIIPVNDA-UHFFFAOYSA-N

物化性质

• 沸点：
  271.9±40.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-methyl-2-(3-trifluoromethyl-phenyl)-4,5-dihydro-oxazole 、 氯甲酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Practical reduction of oxazolines to alcohols

  摘要：

  A two-step, one-pot procedure using methyl chloroformate and lithium borohydride was developed to transform 2-substituted-oxazolines into alcohols. This methodology is compatible with a wide range of Substrates including heterocyclic, aromatic, and aliphatic functionalized 2-oxazolines. Best results are obtained with electron-rich and ortho substituted 2-aryl-oxazolines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.09.061
• 作为产物：
  描述：

  间三氟甲基苯腈 、 异丙醇胺 在 calcium chloride 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 生成 5-methyl-2-(3-trifluoromethyl-phenyl)-4,5-dihydro-oxazole
  参考文献：
  名称：

  Practical reduction of oxazolines to alcohols

  摘要：

  A two-step, one-pot procedure using methyl chloroformate and lithium borohydride was developed to transform 2-substituted-oxazolines into alcohols. This methodology is compatible with a wide range of Substrates including heterocyclic, aromatic, and aliphatic functionalized 2-oxazolines. Best results are obtained with electron-rich and ortho substituted 2-aryl-oxazolines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.09.061