5-(3,5-dimethylphenyl)-2-(chloromethyl)-1,3,4-oxadiazole | 497182-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(3,5-dimethylphenyl)-2-(chloromethyl)-1,3,4-oxadiazole
• 英文别名: 2-(Chloromethyl)-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole
• CAS: 497182-09-9
• 化学式: C₁₁H₁₁ClN₂O
• 分子量: 222.674
• InChiKey: FYIAIZAAYAEKDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯-2-(1,1-二甲基乙基)-5-羟基-3(2H)-吡嗪酮 、 5-(3,5-dimethylphenyl)-2-(chloromethyl)-1,3,4-oxadiazole 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以61%的产率得到2-Tert-butyl-4-chloro-5-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
  参考文献：
  名称：

  Synthesis and Antifeedant Activity of New Oxadiazolyl 3(2H)-Pyridazinones

  摘要：

  A total of 20 new compounds containing the oxadiazolyl 3(2H)-pyridazinone moiety were synthesized. The structures of all the compounds were confirmed by H-1 NMR, IR, MS, and elemental analysis. Their insect antifeedant activities against Asiatic corn borer Ostrinia furnacalis (Guenee) were examined and compared with commercial azadirachtin. The compounds exhibited significant levels of activity. The feeding deterrency values of IIIa,j were 57% and 51% at 500 mg/kg concentration, respectively.

  DOI：

  10.1021/jf0208029
• 作为产物：
  描述：

  3,5-二甲基苯甲酸乙酯 在 一水合肼 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 5-(3,5-dimethylphenyl)-2-(chloromethyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis and Antifeedant Activity of New Oxadiazolyl 3(2H)-Pyridazinones

  摘要：

  A total of 20 new compounds containing the oxadiazolyl 3(2H)-pyridazinone moiety were synthesized. The structures of all the compounds were confirmed by H-1 NMR, IR, MS, and elemental analysis. Their insect antifeedant activities against Asiatic corn borer Ostrinia furnacalis (Guenee) were examined and compared with commercial azadirachtin. The compounds exhibited significant levels of activity. The feeding deterrency values of IIIa,j were 57% and 51% at 500 mg/kg concentration, respectively.

  DOI：

  10.1021/jf0208029