6-nitro-2,3-dihydrobenzoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑啉
• 英文名称: 6-nitro-2,3-dihydrobenzoxazole
• 英文别名: 6-Nitro-2,3-dihydro-1,3-benzoxazole
• 化学式: C₇H₆N₂O₃
• 分子量: 166.136
• InChiKey: UWDSWACFFDANTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二氯乙酰氯 、 6-nitro-2,3-dihydrobenzoxazole 以 N,N-二甲基乙酰胺 为溶剂， 反应 2.0h， 以50%的产率得到N-dichloroacetyl-6-nitro-2,3-dihydrobenzoxazole
  参考文献：
  名称：

  Synthesis and biological activity of some novel N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives

  摘要：

  A facile synthetic route was developed to N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives 3 by cycloaddition of 2-amino-phenol (1) with dichloromethane and acylation of the resultant intermediate 2,3-dihydrobenzoxazole 2 with dichloroacetyl chloride. The structures of the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectroscopy and elemental analysis. The preliminary biological tests showed that products 3 could protect maize against injury caused by acetochlor to some extent.

  DOI：

  10.1515/hc.2011.010
• 作为产物：
  描述：

  二氯甲烷 、 2-氨基-5-硝基苯酚 在 sodium hydroxide 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 以39%的产率得到6-nitro-2,3-dihydrobenzoxazole
  参考文献：
  名称：

  Synthesis and biological activity of some novel N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives

  摘要：

  A facile synthetic route was developed to N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives 3 by cycloaddition of 2-amino-phenol (1) with dichloromethane and acylation of the resultant intermediate 2,3-dihydrobenzoxazole 2 with dichloroacetyl chloride. The structures of the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectroscopy and elemental analysis. The preliminary biological tests showed that products 3 could protect maize against injury caused by acetochlor to some extent.

  DOI：

  10.1515/hc.2011.010

文献信息

• Synthesis and biological activity of some novel N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives
  作者：Ying Fu、Guan-Yu Li、Fei Ye、Shan-Shan Zhang、Shuang Gao

  DOI：10.1515/hc.2011.010

  日期：2011.1.1

  A facile synthetic route was developed to N-dichloroacetyl-2,3-dihydrobenzoxazole derivatives 3 by cycloaddition of 2-amino-phenol (1) with dichloromethane and acylation of the resultant intermediate 2,3-dihydrobenzoxazole 2 with dichloroacetyl chloride. The structures of the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectroscopy and elemental analysis. The preliminary biological tests showed that products 3 could protect maize against injury caused by acetochlor to some extent.