2-(氯甲基)-5-(4-乙基苯基)-1,3,4-恶二唑 | 350672-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(氯甲基)-5-(4-乙基苯基)-1,3,4-恶二唑
• 英文名称: 2-(Chloromethyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole
• CAS: 350672-18-3
• 化学式: C₁₁H₁₁ClN₂O
• 分子量: 222.674
• InChiKey: BLUCZEFJZQABRS-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：
  3
• 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：

  3-氯-2-羟基-5-(三氟甲基)吡啶 、 2-(氯甲基)-5-(4-乙基苯基)-1,3,4-恶二唑 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以74%的产率得到2-(5-(trifluoromethyl)pyridiloxymethyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  新型2-（5-（三氟甲基）吡啶氧基甲基）-1,3,4-恶二唑的合成及杀虫活性

  摘要：

  通过四步合成路线设计并合成了八种2-（5-（三氟甲基）吡啶基氧基甲基）-1,3,4-恶二唑。所有新化合物的结构均通过NMR，质谱和HR质谱确认。初步的生物测定测试表明，某些化合物，尤其是那些在苯环上具有氟的化合物（II 4和II 5），对粘虫Leucania separata Walker的杀虫活性为500 mg l -1。

  DOI：

  10.1016/s0022-1139(02)00172-0
• 作为产物：
  描述：

  4-乙苯-1-碳酰肼 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 2-(氯甲基)-5-(4-乙基苯基)-1,3,4-恶二唑
  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

文献信息

• One-pot three component synthesis of heteroarylated arylacetates via VNSAr-SN reaction using N-methylpyrrolidone as general solvent
  作者：Song Cao、Jingjing Wu、Lina Li、Longjie Zhu、Jian Zhang、Jinlong Yu、Xuhong Qian

  DOI：10.1039/b719185e

  日期：——

  An efficient three component one-pot method was developed to assemble 2-heteroaryl-2-aryl acetates via VNS(Ar)-S(N)Ar and VNS(Ar)-S(N) reaction by using N-methylpyrrolidone (NMP) as general solvent.

  通过使用N-甲基吡咯烷酮（NMP），通过VNS（Ar）-S（N）Ar和VNS（Ar）-S（N）反应，开发了一种高效的三组分一锅法组装乙酸2-杂芳基-2-芳基酯作为一般溶剂。
• Synthesis and Antifeedant Activity of New Oxadiazolyl 3(2<i>H</i>)-Pyridazinones
  作者：Song Cao、Xuhong Qian、Gonghua Song、Bing Chai、Zhisheng Jiang

  DOI：10.1021/jf0208029

  日期：2003.1.1

  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.
• Syntheses and insecticidal activity of new 2-(5-(trifluoromethyl)pyridyloxymethyl)-1,3,4-oxadiazoles
  作者：Song Cao、Xuhong Qian、Gonghua Song、Qingchun Huang

  DOI：10.1016/s0022-1139(02)00172-0

  日期：2002.9

  Eight 2-(5-(trifluoromethyl)pyridyloxymethyl)-1,3,4-oxadiazoles have been designed and synthesized by four-step synthetic route. The structures of all new compounds were confirmed by NMR, mass and HR mass spectroscopy. The preliminary bioassay tests show that some compounds, especially those having fluorine on the benzene ring (II4 and II5), exhibited a significant insecticidal activity on armyworm

  通过四步合成路线设计并合成了八种2-（5-（三氟甲基）吡啶基氧基甲基）-1,3,4-恶二唑。所有新化合物的结构均通过NMR，质谱和HR质谱确认。初步的生物测定测试表明，某些化合物，尤其是那些在苯环上具有氟的化合物（II 4和II 5），对粘虫Leucania separata Walker的杀虫活性为500 mg l -1。