2-(6-Methyl-1,3-benzoxazol-2-yl)acetamide | 1246528-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(6-Methyl-1,3-benzoxazol-2-yl)acetamide
• CAS: 1246528-08-4
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: OZAYDUOLUZVHCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(6-methylbenzo[d]oxazol-2-yl)acetonitrile 在 氟硼酸铵 、 [RhCl2(p-cymene)]2 、 水 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以62%的产率得到2-(6-Methyl-1,3-benzoxazol-2-yl)acetamide
  参考文献：
  名称：

  Bidentate Oxazoline−Imine Ruthenium(II) Complexes: Intermediates in the Methanolysis/Hydration of Nitrile Groups

  摘要：

  The reaction of [RuCl2(p-cymene)](2) with benzoxazoleacetonitriles and NH4+BF4- in methanol leads to bidentate N,N'-benzoxazole-methoxyimine-ruthenium(II) complexes 7, corresponding to the addition of methanol to the ruthenium(II)-activated nitrile triple bond. The X-ray structure of a complex 7 shows equivalent Ru-N and slightly different C=N bond distances. The catalytic hydration of benzoxazolacetonitriles with [RuCl2(p-cymene)](2) in methanol/water leads to quantitative formation of corresponding amides under mild conditions.

  DOI：

  10.1021/om100674x

文献信息

• Bidentate Oxazoline−Imine Ruthenium(II) Complexes: Intermediates in the Methanolysis/Hydration of Nitrile Groups
  作者：Hamed Ben Ammar、Xiaowei Miao、Cédric Fischmeister、Loic Toupet、Pierre H. Dixneuf

  DOI：10.1021/om100674x

  日期：2010.10.11

  The reaction of [RuCl2(p-cymene)](2) with benzoxazoleacetonitriles and NH4+BF4- in methanol leads to bidentate N,N'-benzoxazole-methoxyimine-ruthenium(II) complexes 7, corresponding to the addition of methanol to the ruthenium(II)-activated nitrile triple bond. The X-ray structure of a complex 7 shows equivalent Ru-N and slightly different C=N bond distances. The catalytic hydration of benzoxazolacetonitriles with [RuCl2(p-cymene)](2) in methanol/water leads to quantitative formation of corresponding amides under mild conditions.