2-butyl-N-methyl-5-phenylbenzamide | 1261060-33-6

• 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: 2-butyl-N-methyl-5-phenylbenzamide
• CAS: 1261060-33-6
• 化学式: C₁₈H₂₁NO
• 分子量: 267.371
• InChiKey: WILJXCCOGIQBQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯丁烷 、 N-methylbiphenyl-3-carboxamide 在 N,N-二甲基丙烯基脲 、 环己氯化镁 、 cobalt acetylacetonate 作用下， 以 乙醚 为溶剂， 反应 12.0h， 以81%的产率得到2-butyl-N-methyl-5-phenylbenzamide
  参考文献：
  名称：

  Cobalt-Catalyzed ortho-Alkylation of Secondary Benzamide with Alkyl Chloride through Directed C−H Bond Activation

  摘要：

  Coupling of an alkyl chloride with a secondary benzamide derivative at the ortho-position can be achieved in good to excellent yield in the presence of a cobalt catalyst and cyclohexylmagnesium chloride in diethyl ether at room temperature. Cyclohexylmagnesium chloride formally acts to remove hydrogen atoms from the amide nitrogen and from the ortho-position and to generate the active cobalt species.

  DOI：

  10.1021/ja1099853

文献信息

• Cobalt-Catalyzed <i>ortho</i>-Alkylation of Secondary Benzamide with Alkyl Chloride through Directed C−H Bond Activation
  作者：Quan Chen、Laurean Ilies、Eiichi Nakamura

  DOI：10.1021/ja1099853

  日期：2011.1.26

  Coupling of an alkyl chloride with a secondary benzamide derivative at the ortho-position can be achieved in good to excellent yield in the presence of a cobalt catalyst and cyclohexylmagnesium chloride in diethyl ether at room temperature. Cyclohexylmagnesium chloride formally acts to remove hydrogen atoms from the amide nitrogen and from the ortho-position and to generate the active cobalt species.