4-hydroxyphenyl-N,N-isobutylmethylimide | 63877-46-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-hydroxyphenyl-N,N-isobutylmethylimide
• 英文别名: 4-(4-Methylpentan-2-ylideneamino)phenol
• CAS: 63877-46-3
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: VRESONBKIXHYPH-UHFFFAOYSA-N

物化性质

• 沸点：
  296.1±32.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 4-hydroxyphenyl-N,N-isobutylmethylimide 以 环己烷 为溶剂， 以54%的产率得到Ru3(μ-H)2[μ3-η(2)-4-HOC6H4N=C(CH2CH(CH3)2)MeCH](CO)9
  参考文献：
  名称：

  Ruthenium clusters with nitrogen ligands IV. Double CH activation of ketimine methyl groups on triruthenium carbonyl clusters. Crystal structure of Ru3(μ-H)2[μ3-ν2-(N,C)-4-HOC6H4NCMeCH](CO)9. Et20

  摘要：

  The reaction of Ru-3(CO)(12) with the Schiff base 4-hydroxyphenyl-N,N-dimethylimide in refluxing cyclohexane gave the title complex in excellent yield. An X-ray crystallographic study showed that the product is derived from an unusual double C-H activation of the methyl group. An analogous reaction with the asymmetric Schiff base p-hydroxyphenyl-N,N-isobutylmethylimide showed that this reaction is specific for the imine-bound methyl group.

  DOI：

  10.1016/0022-328x(95)05416-m
• 作为产物：
  描述：

  对氨基苯酚 、 4-甲基-2-戊酮 反应 24.0h， 以83%的产率得到4-hydroxyphenyl-N,N-isobutylmethylimide
  参考文献：
  名称：

  Ruthenium clusters with nitrogen ligands IV. Double CH activation of ketimine methyl groups on triruthenium carbonyl clusters. Crystal structure of Ru3(μ-H)2[μ3-ν2-(N,C)-4-HOC6H4NCMeCH](CO)9. Et20

  摘要：

  The reaction of Ru-3(CO)(12) with the Schiff base 4-hydroxyphenyl-N,N-dimethylimide in refluxing cyclohexane gave the title complex in excellent yield. An X-ray crystallographic study showed that the product is derived from an unusual double C-H activation of the methyl group. An analogous reaction with the asymmetric Schiff base p-hydroxyphenyl-N,N-isobutylmethylimide showed that this reaction is specific for the imine-bound methyl group.

  DOI：

  10.1016/0022-328x(95)05416-m