5-ethoxycarbonyl-3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole | 57459-35-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-ethoxycarbonyl-3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
• 英文别名: 3-Mesityl-1,2,4-oxadiazol-5-carbonsaeureaethylester；3-(2,4,6-trimethyl-phenyl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester；ethyl 3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole-5-carboxylate
• CAS: 57459-35-5
• 化学式: C₁₄H₁₆N₂O₃
• 分子量: 260.293
• InChiKey: NCRNZJHWWKHFDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4,6-三甲基苯甲腈N-氧化物 、 氰基甲酸乙酯 反应 0.07h， 以81%的产率得到5-ethoxycarbonyl-3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
  参考文献：
  名称：

  1,3-Dipolar Cycloaddition of Nitriles under Microwave Irradiation in Solvent-Free Conditions

  摘要：

  Several nitriles were allowed to react with nitrones or nitrile oxides in the absence of solvent under microwave irradiation within 2-10 min to give 2,3-dihydro-1,2,4-oxadiazoles or 1,2,4-oxadiazoles, respectively.

  DOI：

  10.3987/com-96-7412

文献信息

• Periselective addition of nitrile sulfides, nitrile oxides and diphenyldiazomethane to tetracyanoethylene
  作者：John E. Franz、Robert K. Howe、Helen K. Pearl

  DOI：10.1021/jo00866a008

  日期：1976.2.20
• 1,3-Dipolar Cycloaddition of Nitriles under Microwave Irradiation in Solvent-Free Conditions
  作者：Angel Díaz-Ortiz、Enrique Díez-Barra、Antonio de la Hoz、Andrés Moreno、Maria J. Gómez-Escalonilla、André Loupy

  DOI：10.3987/com-96-7412

  日期：——

  Several nitriles were allowed to react with nitrones or nitrile oxides in the absence of solvent under microwave irradiation within 2-10 min to give 2,3-dihydro-1,2,4-oxadiazoles or 1,2,4-oxadiazoles, respectively.