N-(2-methyl-2-propenyl)-N-phenyl-5-methyl-2-hexynamide | 915231-66-2

• 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-methyl-2-propenyl)-N-phenyl-5-methyl-2-hexynamide
• CAS: 915231-66-2
• 化学式: C₁₇H₂₁NO
• 分子量: 255.36
• InChiKey: WCAQCPGGNNKTFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  N-(2-methyl-2-propenyl)-N-phenyl-5-methyl-2-hexynamide 、 Zinc, chlorophenyl- 、 碘甲烷 在 1,1'-双(二苯基膦)二茂铁 、 bis(ethylene)rhodium(I) chloride dimer 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 4,4-Dimethyl-3-[3-methyl-1-phenyl-but-(E)-ylidene]-1-phenyl-pyrrolidin-2-one 、 4-Ethyl-4-methyl-3-[3-methyl-1-phenyl-but-(E)-ylidene]-1-phenyl-pyrrolidin-2-one
  参考文献：
  名称：

  Rhodium-Catalyzed Multicomponent-Coupling Reactions Involving a Carborhodation−Cross-Coupling Sequence

  摘要：

  A rhodium-catalyzed multicomponent-coupling reaction has been developed that involves a cross-coupling with organohalides as part of the reaction sequence. Through several experiments toward mechanistic investigations, it has also been demonstrated that the reaction most likely proceeds via a carborhodation-oxidative addition-reductive elimination pathway, which clearly contrasts to the corresponding palladium-catalyzed processes.

  DOI：

  10.1021/ol061858h
• 作为产物：
  描述：

  1-bromomagnesium-4-methyl-1-pentyne 在 sodium hydride 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 39.0h， 生成 N-(2-methyl-2-propenyl)-N-phenyl-5-methyl-2-hexynamide
  参考文献：
  名称：

  Rhodium-Catalyzed Multicomponent-Coupling Reactions Involving a Carborhodation−Cross-Coupling Sequence

  摘要：

  A rhodium-catalyzed multicomponent-coupling reaction has been developed that involves a cross-coupling with organohalides as part of the reaction sequence. Through several experiments toward mechanistic investigations, it has also been demonstrated that the reaction most likely proceeds via a carborhodation-oxidative addition-reductive elimination pathway, which clearly contrasts to the corresponding palladium-catalyzed processes.

  DOI：

  10.1021/ol061858h