3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-5-(2,3,3-trichloroprop-2-en-1-yl)-1,2,4-oxadiazole | 1190959-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-5-(2,3,3-trichloroprop-2-en-1-yl)-1,2,4-oxadiazole
• 英文别名: 3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-5-(2,3,3-trichloroprop-2-enyl)-1,2,4-oxadiazole
• CAS: 1190959-36-4
• 化学式: C₁₆H₁₂Cl₃N₃O₂
• 分子量: 384.649
• InChiKey: XBMQAYGVZJBBAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(2,5-dimethylphenyl)-N'-(3,4,4-trichlorobut-3-enoyloxy)-1,2-oxazole-3-carboximidamide 在 溶剂黄146 作用下， 反应 6.0h， 以94%的产率得到3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-5-(2,3,3-trichloroprop-2-en-1-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Synthesis of 5-substituted 3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazoles

  摘要：

  5-(2,5-Dimethylphenyl)-1,2-oxazole-3-carbaldehyde oxime reacted with acetic anhydride in pyridine to give 5-(2,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile which was converted into the corresponding amide oxime by treatment with hydroxylamine. O-Acyl derivatives of N'-hydroxy-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboximidamide underwent heterocyclization into 5-substituted 3-[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazoles on heating in acetic acid.

  DOI：

  10.1134/s1070428009040137