N-(2,4-diiodophenyl)-N-methyl-2-heptynamide | 915231-53-7

• 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-diiodophenyl)-N-methyl-2-heptynamide
• 英文别名: N-(2,4-diiodophenyl)-N-methylhept-2-ynamide
• CAS: 915231-53-7
• 化学式: C₁₄H₁₅I₂NO
• 分子量: 467.088
• InChiKey: DDJQQIJBEJSYSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(2,4-diiodophenyl)-N-methyl-2-heptynamide 、 Zinc, chlorophenyl- 在 palladium catalyst 作用下， 以61%的产率得到(3E)-1-methyl-5-phenyl-3-(1-phenylpentylidene)indol-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：

  2-庚炔酸 在 sodium hydride 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 34.0h， 生成 N-(2,4-diiodophenyl)-N-methyl-2-heptynamide
  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