2-(2,6-Dichloro-4-trifluoromethylphenyl)-4-methyl-2H-1,2,3-triazole 1-oxide | 129366-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2,6-Dichloro-4-trifluoromethylphenyl)-4-methyl-2H-1,2,3-triazole 1-oxide
• 英文别名: 2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-methyl-1-oxidotriazol-1-ium
• CAS: 129366-57-0
• 化学式: C₁₀H₆Cl₂F₃N₃O
• 分子量: 312.078
• InChiKey: ORSCKGLUGYHTKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2,6-Dichloro-4-trifluoromethylphenyl)-4-methyl-2H-1,2,3-triazole 1-oxide 以 甲醇 、 二氯甲烷 为溶剂， 反应 72.5h， 生成 2-(2,6-dichloro-4-trifluoro-methylphenyl)-4-methyl-5-methylsulphonyl-2H-1,2,3-triazole
  参考文献：
  名称：

  The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles

  摘要：

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.

  DOI：

  10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#
• 作为产物：
  描述：

  2,6-二氯-4-三氟甲基苯肼 在 吡啶 、 copper(II) sulfate 作用下， 以 乙醚 为溶剂， 生成 2-(2,6-Dichloro-4-trifluoromethylphenyl)-4-methyl-2H-1,2,3-triazole 1-oxide
  参考文献：
  名称：

  The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles

  摘要：

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.

  DOI：

  10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#

文献信息

• 1,2,3-triazole insecticides
  申请人：Schering Agrochemicals Limited

  公开号：US05064844A1

  公开（公告）日：1991-11-12

  Compounds of formula I ##STR1## and N-oxides thereof, in which Ar is aryl; R.sup.1 and R.sup.2 are the same or different and are hydrogen, alkyl, alkenyl or alkynyl, each of which is optionally substituted, aryl, heterocyclyl, cyano, halogen, nitro, XR.sup.3, S(O).sub.2 NR.sup.4 R.sup.5, CHO and functional derivatives thereof, NR.sup.4 R.sup.5 or CYNR.sup.4 R.sup.5 ; R.sup.3 is hydrogen or optionally substituted alkyl or alkenyl; R.sup.4 and R.sup.5 are the same or different and are hydrogen, optionally substituted alkyl, acyl or aryl, or together with the nitrogen to which they are attached, form a 5 to 7 membered ring which can contain other hetero atoms; X is O, S, S(O).sub.n, OSO.sub.2, YCO or COO; Y is O or S; and n is 1 or 2; have pesticidal activity and especially insecticidal and acaricidal activity. Many of the compounds are novel.

  化学式I的化合物及其N-氧化物，其中Ar是芳基；R.sup.1和R.sup.2相同或不同，可以是氢、烷基、烯基或炔基，每个都可以是可选择取代的芳基、杂环基、氰基、卤素、硝基、XR.sup.3、S(O).sub.2 NR.sup.4 R.sup.5、CHO及其它功能衍生物、NR.sup.4 R.sup.5或CYNR.sup.4 R.sup.5；R.sup.3是氢或可选择取代的烷基或烯基；R.sup.4和R.sup.5相同或不同，可以是氢、可选择取代的烷基、酰基或芳基，或者与它们连接的氮一起形成一个含有其他杂原子的5到7元环；X是O、S、S(O).sub.n、OSO.sub.2、YCO或COO；Y是O或S；n是1或2；具有杀虫活性，尤其是杀虫和杀螨活性。其中许多化合物是新颖的。
• JPH0285264A
  申请人：——

  公开号：JPH0285264A

  公开（公告）日：1990-03-26
• US5064844A
  申请人：——

  公开号：US5064844A

  公开（公告）日：1991-11-12