N-methoxy-2,2-dimethylpentanamide | 1032597-17-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-methoxy-2,2-dimethylpentanamide
• CAS: 1032597-17-3
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: HKPUAUSLZVJTKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methoxy-2,2-dimethylpentanamide 、 苯硼酸 在 palladium diacetate air 、 potassium carbonate 、 对苯醌 作用下， 以 叔丁醇 为溶剂， 80.0 ℃ 、4.05 MPa 条件下， 反应 48.0h， 生成 N-methoxy-2-benzyl-2-methylpentanamide
  参考文献：
  名称：

  Pd(II)-Catalyzed Cross-Coupling of sp³ C−H Bonds with sp² and sp³ Boronic Acids Using Air as the Oxidant

  摘要：

  O-Methyl hydroxamic acids, readily available from carboxylic acids, are found to be extremely reactive for P-C-H activation by Pd(OAC)(2). This reactivity is exploited to develop the first example of cross-coupling sp(3) C-H bonds with sp(3) boronic acids. Air was shown to be a suitable stoichiometric oxidant for the catalytic oxidative coupling reaction. A biologically active natural product is readily converted to its novel analogues through this coupling reaction.

  DOI：

  10.1021/ja801355s
• 作为产物：
  描述：

  新庚酰氯 、 甲氧基胺盐酸盐 在 sodium carbonate 作用下， 以 水 、 苯 为溶剂， 反应 5.0h， 生成 N-methoxy-2,2-dimethylpentanamide
  参考文献：
  名称：

  Pd(II)-Catalyzed Cross-Coupling of sp³ C−H Bonds with sp² and sp³ Boronic Acids Using Air as the Oxidant

  摘要：

  O-Methyl hydroxamic acids, readily available from carboxylic acids, are found to be extremely reactive for P-C-H activation by Pd(OAC)(2). This reactivity is exploited to develop the first example of cross-coupling sp(3) C-H bonds with sp(3) boronic acids. Air was shown to be a suitable stoichiometric oxidant for the catalytic oxidative coupling reaction. A biologically active natural product is readily converted to its novel analogues through this coupling reaction.

  DOI：

  10.1021/ja801355s

文献信息

• Pd(II)-Catalyzed Cross-Coupling of sp³ C−H Bonds with sp² and sp³ Boronic Acids Using Air as the Oxidant
  作者：Dong-Hui Wang、Masayuki Wasa、Ramesh Giri、Jin-Quan Yu

  DOI：10.1021/ja801355s

  日期：2008.6.1

  O-Methyl hydroxamic acids, readily available from carboxylic acids, are found to be extremely reactive for P-C-H activation by Pd(OAC)(2). This reactivity is exploited to develop the first example of cross-coupling sp(3) C-H bonds with sp(3) boronic acids. Air was shown to be a suitable stoichiometric oxidant for the catalytic oxidative coupling reaction. A biologically active natural product is readily converted to its novel analogues through this coupling reaction.