5-Propionyl-2(3H)-benzoxazolone | 1014-44-4

• 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: 5-Propionyl-2(3H)-benzoxazolone
• 英文别名: 5-propanoyl-3H-1,3-benzoxazol-2-one
• CAS: 1014-44-4
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: AUQUPJPXRFAEQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3'-amino-4'-hydroxypropiophenone 、 尿素 在 盐酸 作用下， 以73%的产率得到5-Propionyl-2(3H)-benzoxazolone
  参考文献：
  名称：

  Regioselectivity in the c-acylation of 2(3H)-benzoxazolones

  摘要：

  Unequivocal synthetic routes towards 5- and 6-acyl-2(3H)-benzoxazolones are described. Comparison of the physicochemical properties of the compounds obtained by direct acylation under various Friedel-Crafts reaction conditions always leads to the conclusion that 6-acyl derivatives are the only isolated products. This observation contradicts previously published results.

  DOI：

  10.1016/s0040-4020(01)82317-6

文献信息

• Regioselectivity in the c-acylation of 2(3H)-benzoxazolones
  作者：Hocine Aichaoui、Jacques H. Poupaert、Daniel Lesieur、Jean-Pierre Hénichart

  DOI：10.1016/s0040-4020(01)82317-6

  日期：1991.8

  Unequivocal synthetic routes towards 5- and 6-acyl-2(3H)-benzoxazolones are described. Comparison of the physicochemical properties of the compounds obtained by direct acylation under various Friedel-Crafts reaction conditions always leads to the conclusion that 6-acyl derivatives are the only isolated products. This observation contradicts previously published results.