4-(3-m-nitrophenyl-1,2,4-oxadiazol-5-yl)-butan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-m-nitrophenyl-1,2,4-oxadiazol-5-yl)-butan-2-one
• 英文别名: 4-[3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
• 化学式: C₁₂H₁₁N₃O₄
• mdl: MFCD18948238
• 分子量: 261.237
• InChiKey: HTJYRCVUDOCMPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙酰丙酸甲酯 、 3-硝基苄胺肟 在 potassium carbonate 作用下， 反应 0.08h， 以86%的产率得到4-(3-m-nitrophenyl-1,2,4-oxadiazol-5-yl)-butan-2-one
  参考文献：
  名称：

  Microwave-induced one-pot synthesis of 4-[3-(aryl)-1,2,4-oxadiazol-5-yl]-butan-2-ones under solvent free conditions

  摘要：

  The synthesis of 4-[3-(aryl)-1,2,4-oxadiazol-5-yl]-butan-2-ones (5a-I) from methyl levulinate (4) and arylamidoximes (1a-I) is described. The reaction was carried out in a microwave oven without any solvent in much shorter time and in yields comparable with conventional heating. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.116

文献信息

• Microwave-induced one-pot synthesis of 4-[3-(aryl)-1,2,4-oxadiazol-5-yl]-butan-2-ones under solvent free conditions
  作者：Jucleiton José R. de Freitas、Juliano Carlo R. de Freitas、Ladjane P. da Silva、João R. de Freitas Filho、Gisele Y.V. Kimura、Rajendra M. Srivastava

  DOI：10.1016/j.tetlet.2007.06.116

  日期：2007.8

  The synthesis of 4-[3-(aryl)-1,2,4-oxadiazol-5-yl]-butan-2-ones (5a-I) from methyl levulinate (4) and arylamidoximes (1a-I) is described. The reaction was carried out in a microwave oven without any solvent in much shorter time and in yields comparable with conventional heating. (C) 2007 Elsevier Ltd. All rights reserved.