N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,2-dimethylbutanamide | 1020668-79-4

• 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: N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,2-dimethylbutanamide
• CAS: 1020668-79-4
• 化学式: C₁₇H₂₄N₂O₂
• 分子量: 288.39
• InChiKey: GJIGJOGUKQEZPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2,2-dimethylbutanamide 、 palladium diacetate 以 乙酸乙酯 为溶剂， 以66%的产率得到(CH2CMe2CONC6H4C3H2NOMe2)Pd(acetate)
  参考文献：
  名称：

  Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex

  摘要：

  Pd(OAC)(2)-inediated dehydrogenation of an alkyl group to a double bond or a eta(3)-allylic complex via sp(3) C-H bond activation and allylic oxidation is reported. A novel redox is Proposed for this double oxidation under oxidant-free conditions. A catalytic protocol using benzoquinone as the stoichiometric oxidant has also been developed for the dehydrogenation of cyclopentylcarboxamides.

  DOI：

  10.1021/om8000444

文献信息

• Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex
  作者：Ramesh Giri、Nathan Maugel、Bruce M. Foxman、Jin-Quan Yu

  DOI：10.1021/om8000444

  日期：2008.4.1

  Pd(OAC)(2)-inediated dehydrogenation of an alkyl group to a double bond or a eta(3)-allylic complex via sp(3) C-H bond activation and allylic oxidation is reported. A novel redox is Proposed for this double oxidation under oxidant-free conditions. A catalytic protocol using benzoquinone as the stoichiometric oxidant has also been developed for the dehydrogenation of cyclopentylcarboxamides.