4-(5-((2,2,2-trifluoroethoxy)methyl)isoxazol-3-yl)aniline | 1338349-79-3

• 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: 4-(5-((2,2,2-trifluoroethoxy)methyl)isoxazol-3-yl)aniline
• 英文别名: 4-[5-(2,2,2-Trifluoroethoxymethyl)-1,2-oxazol-3-yl]aniline
• CAS: 1338349-79-3
• 化学式: C₁₂H₁₁F₃N₂O₂
• 分子量: 272.227
• InChiKey: PVMXIWIIERYWIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  61.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(5-((2,2,2-trifluoroethoxy)methyl)isoxazol-3-yl)aniline 、 2,6-二氟苯甲酰异氰酸酯 以 二氯甲烷 为溶剂， 以83.2%的产率得到2,6-difluoro-N-(4-(5-((2,2,2-trifluoroethoxy)methyl)-isoxazol-3-yl)phenylcarbamoyl)benzamide
  参考文献：
  名称：

  Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Isoxazoline and Isoxazole Group

  摘要：

  Twenty-two new benzoylphenylureas containing isoxazoline and the isoxazole group were designed and synthesized, and their structures were characterized by (1)H NMR and elemental analysis (or FIRMS). The larvicidal activities against Oriental armyworm, mosquito, and diamondback moth of the new compounds were evaluated. Compounds I-1 and III-1 showed nearly the same level of insecticidal activity against Oriental armyworm as commercial insecticide Flucycloxuron and surprisingly exhibited much higher larvicidal activities against diamondback moth than Flucycloxuron.

  DOI：

  10.1021/jf200395g
• 作为产物：
  描述：

  3-(4-nitrophenyl)-5-((2,2,2-trifluoroethoxy)methyl)-isoxazole 在 铁粉 、 溶剂黄146 作用下， 以 水 、 乙酸乙酯 为溶剂， 以92.7%的产率得到4-(5-((2,2,2-trifluoroethoxy)methyl)isoxazol-3-yl)aniline
  参考文献：
  名称：

  Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Isoxazoline and Isoxazole Group

  摘要：

  Twenty-two new benzoylphenylureas containing isoxazoline and the isoxazole group were designed and synthesized, and their structures were characterized by (1)H NMR and elemental analysis (or FIRMS). The larvicidal activities against Oriental armyworm, mosquito, and diamondback moth of the new compounds were evaluated. Compounds I-1 and III-1 showed nearly the same level of insecticidal activity against Oriental armyworm as commercial insecticide Flucycloxuron and surprisingly exhibited much higher larvicidal activities against diamondback moth than Flucycloxuron.

  DOI：

  10.1021/jf200395g