3-(2-methoxyphenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one | 169814-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-methoxyphenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
• CAS: 169814-26-0
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: ZGDRRVJKBGQDJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2-methoxyphenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one 在 pyridinium hydrobromide perbromide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-(2-Methoxy-phenyl)-benzo[d]isoxazol-4-ol
  参考文献：
  名称：

  Facile Construction and Divergent Transformation of Polycyclic Isoxazoles:  Direct Access to Polyketide Architectures

  摘要：

  [GRAPHICS]Base-promoted cyclocondensation of C-chloro oximes with cyclic 1,3-diketones affords functionalized isoxazoles in good yield and under convenient reaction conditions. This process enables the synthesis of highly substituted products with notable functional group tolerance. The products obtained are directly converted to a variety of polyketide-derived polycyclic structures including xanthenes, anthracenes, and benzophenones.

  DOI：

  10.1021/ol027283f
• 作为产物：
  描述：

  2-甲氧基苯甲醛肟 在 吡啶 N-氯代丁二酰亚胺 、 sodium isopropylate 作用下， 以 氯仿 、 异丙醇 为溶剂， 反应 3.5h， 生成 3-(2-methoxyphenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
  参考文献：
  名称：

  Facile Construction and Divergent Transformation of Polycyclic Isoxazoles:  Direct Access to Polyketide Architectures

  摘要：

  [GRAPHICS]Base-promoted cyclocondensation of C-chloro oximes with cyclic 1,3-diketones affords functionalized isoxazoles in good yield and under convenient reaction conditions. This process enables the synthesis of highly substituted products with notable functional group tolerance. The products obtained are directly converted to a variety of polyketide-derived polycyclic structures including xanthenes, anthracenes, and benzophenones.

  DOI：

  10.1021/ol027283f

文献信息

• Facile Construction and Divergent Transformation of Polycyclic Isoxazoles:  Direct Access to Polyketide Architectures
  作者：Jeffrey W. Bode、Yoshifumi Hachisu、Tomoo Matsuura、Keisuke Suzuki

  DOI：10.1021/ol027283f

  日期：2003.2.1

  [GRAPHICS]Base-promoted cyclocondensation of C-chloro oximes with cyclic 1,3-diketones affords functionalized isoxazoles in good yield and under convenient reaction conditions. This process enables the synthesis of highly substituted products with notable functional group tolerance. The products obtained are directly converted to a variety of polyketide-derived polycyclic structures including xanthenes, anthracenes, and benzophenones.