5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methyl-phenyl)-5-(trifluoromethyl)-4H-isoxazole

• 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-dichlorophenyl)-3-(4-fluoro-3-methyl-phenyl)-5-(trifluoromethyl)-4H-isoxazole
• 英文别名: 5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole；5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole；5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
• 化学式: C₁₇H₁₁Cl₂F₄NO
• 分子量: 392.18
• InChiKey: LQJLZZUHWDWDPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methyl-phenyl)-5-(trifluoromethyl)-4H-isoxazole 在 N-羟基-7-氮杂苯并三氮唑 、 碳酸氢钠 、 caesium carbonate 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 间氯过氧苯甲酸 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 2.0h， 生成 2-{4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzenesulfinyl}-N-(2,2,2-trifluoroethyl)acetamide
  参考文献：
  名称：

  [EN] INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES
  [FR] COMPOSÉS INSECTICIDES À BASE DE DÉRIVÉS D'ARYLTHIACÉTAMIDE

  摘要：

  本发明提供了式（I）的化合物，其中R1、R2、R3、R4、G1、n、A1、A2、A3、A4、Y1、Y2和Y3如权利要求中所定义。该发明还涉及用于制备这些化合物的过程和中间体，包括这些化合物的杀虫剂、杀螨剂、杀线虫剂和杀软体动物剂组合物，以及使用这些化合物控制昆虫、螨虫、线虫和软体动物害虫的方法。

  公开号：

  WO2012156400A1
• 作为产物：
  描述：

  3,5-二氯苯硼酸频那醇酯 在 sodium hypochlorite 、 四(三苯基膦)钯 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 为溶剂， 生成 5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methyl-phenyl)-5-(trifluoromethyl)-4H-isoxazole
  参考文献：
  名称：

  4-Azolylphenyl isoxazoline insecticides acting at the GABA gated chloride channel

  摘要：

  Isoxazoline insecticides have been shown to be potent blockers of insect GABA receptors with excellent activity on a broad pest range, including Lepidoptera and Hemiptera. Herein we report on the synthesis, biological activity and mode-of-action for a class of 4-heterocyclic aryl isoxazoline insecticides. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.031

文献信息

• AGRICULTURAL CHEMICALS
  申请人：REDAG CROP PROTECTION LTD

  公开号：US20160212997A1

  公开（公告）日：2016-07-28

  The present invention relates to compounds which are of use in the field of agriculture as insecticides and acaricides. The compounds contain butenolide rings, oxazoline and isoxazoline rings, pyridine rings or pyranone rings. The invention also relates to compositions comprising said compounds and methods of using said compounds.

  本发明涉及一种在农业领域作为杀虫剂和杀螨剂使用的化合物。这些化合物含有丁烯内酯环、噁唑烷和异噁唑烷环、吡啶环或吡喃酮环。该发明还涉及包含所述化合物的组合物和使用该化合物的方法。
• 5-aryl isoxazolines for controlling invertebrate pests
  申请人：E.I. du Pont de Nemours and Company

  公开号：US07897630B2

  公开（公告）日：2011-03-01

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof wherein A1, A2 and A3 are independently selected from the group consisting of CR3 and N; B1 B2 and B3 are independently selected from the group consisting of CR2 and N; Q is a phenyl ring or a 5- or 6-membered saturated or unsaturated heterocyclic ring, each ring optionally substituted with one or more substituents independently selected from halogen, C1-C6 alkyl, C1-C6 haloalkyl, C3-C6 cycloalkyl, C3-C6 halocycloalkyl, C1-C6 alkoxy, C1-C6 haloalkoxy, C1-C6 alkylthio, C1-C6 haloalkylthio, C1-C6 alkylsulfinyl, C1-C6 haloalkylsufinyl, C1-C6 alkylsulfonyl, C1-C6 haloalkylsulfonyl, —CN, —NO2, —N(R4)R5, —C(W)N(R4)R5, —C(O)OR5 and R8; or —S(O)2N(R21)R22; —S(O)pR25 or —S(O)(═NR28)R29; R1, R2, R3, R4, R5, R8, R21, R22, R25, R28, R29; p and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  本发明涉及公式1的化合物，包括所有几何和立体异构体，N-氧化物和其盐，其中A1、A2和A3独立地选自CR3和N组成的群；B1、B2和B3独立地选自CR2和N组成的群；Q是苯环或5-或6-成员的饱和或不饱和杂环环，每个环可选地用一个或多个取代基独立地选自卤素，C1-C6烷基，C1-C6卤代烷基，C3-C6环烷基，C3-C6卤代环烷基，C1-C6烷氧基，C1-C6卤代烷氧基，C1-C6烷基硫基，C1-C6卤代烷基硫基，C1-C6烷基亚磺酰基，C1-C6卤代烷基亚磺酰基，C1-C6烷基磺酰基，C1-C6卤代烷基磺酰基，-CN，-NO2，-N(R4)R5，-C（W）N(R4)R5，-C（O）OR5和R8；或-S（O）2N(R21)R22；-S（O）pR25或-S（O）（═NR28）R29；其中R1、R2、R3、R4、R5、R8、R21、R22、R25、R28、R29；p和n如本文所定义。本发明还涉及含有公式1化合物的组合物以及用本发明的化合物或组合物的生物有效量接触无脊椎动物害虫或其环境来控制无脊椎动物害虫的方法。
• 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS
  申请人：Lahm George Philip

  公开号：US20110152081A1

  公开（公告）日：2011-06-23

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein A 1 , A 2 and A 3 are independently selected from the group consisting of CR 3 and N; B 1 B 2 and B 3 are independently selected from the group consisting of CR 2 and N; Q is a phenyl ring or a 5- or 6-membered saturated or unsaturated heterocyclic ring, each ring optionally substituted with one or more substituents independently selected from halogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 3 -C 6 cycloalkyl, C 3 -C 6 halocycloalkyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy, C 1 -C 6 alkylthio, C 1 -C 6 haloalkylthio, C 1 -C 6 alkylsulfinyl, C 1 -C 6 haloalkylsulfinyl, C 1 -C 6 alkylsulfonyl, C 1 -C 6 haloalkylsulfonyl, —CN, —NO 2 , —N(R 4 )R 5 , —C(W)N(R4)R 5 , —C(O)OR 5 and R 8 ; or —S(O) 2 N(R 21 )R 22 , —S(O) p R 25 or —S(O)(═NR 28 )R 29 ; and R 1 , R 2 , R 3 , R 4 , R 5 , R 8 , R 21 , R 22 , R 25 , R 28 , R 29 ; p and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition' of the invention.

  本发明公开了一种式子为1的化合物，包括所有的几何和立体异构体、N-氧化物和盐，其中A1、A2和A3分别选自CR3和N组成的群组；B1、B2和B3分别选自CR2和N组成的群组；Q是苯环或5-或6-成员的饱和或不饱和杂环，每个环可选地被一个或多个取代基独立地选自卤素、C1-C6烷基、C1-C6卤代烷基、C3-C6环烷基、C3-C6卤代环烷基、C1-C6烷氧基、C1-C6卤代烷氧基、C1-C6烷基硫基、C1-C6卤代烷基硫基、C1-C6烷基亚砜基、C1-C6卤代烷基亚砜基、C1-C6烷基磺酰基、C1-C6卤代烷基磺酰基、-CN、-NO2、-N(R4)R5、-C(W)N(R4)R5、-C(O)OR5和R8；或-S(O)2N(R21)R22、-S(O)pR25或-S(O)(═NR28)R29；R1、R2、R3、R4、R5、R8、R21、R22、R25、R28、R29；p和n如本公开所定义。本发明还公开了含有式子1的化合物的组合物，以及用化合物或组合物的生物有效量接触无脊椎动物害虫或其环境来控制无脊椎动物害虫的方法。
• INSECTICIDAL ISOXAZOLINES
  申请人：MIHARA Jun

  公开号：US20110086886A2

  公开（公告）日：2011-04-14

  Novel isoxazolines of the formula (I) wherein A represents C or N; R represents haloalkyl; X represents halogen or haloalkyl; l represents 0, 1 or 2; Y represents halogen, alkyl, alkoxy, haloalkyl, cyano, nitro, amino, acylamino, alkoxycarbonylamino, haloalkoxycarbonyl-amino or alkylsulfonylamino; m represents 0, 1 or 2; and G represents any one selected from heterocyclic groups described in the specification; and intermediates, and a use thereof as insecticides and/or for controlling animal parasites.

  化合物的式子为（I），其中A代表C或N；R代表卤代烷基；X代表卤素或卤代烷基；l代表0、1或2；Y代表卤素、烷基、烷氧基、卤代烷基、氰基、硝基、氨基、酰胺基、烷氧羰基胺基、卤代烷氧羰基胺基或烷基磺酰胺基；m代表0、1或2；而G代表规范中所述的任意一种杂环基团。该化合物是昆虫杀虫剂和/或动物寄生虫控制剂的中间体，以及其用途。
• 5-Aryl Isoxazolines for Controlling Invertebrate Pests
  申请人：Lahm George Philip

  公开号：US20090133319A1

  公开（公告）日：2009-05-28

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof wherein A 1 , A 2 and A 3 are independently selected from the group consisting of CR 3 and N; B 1 B 2 and B 3 are independently selected from the group consisting of CR 2 and N; Q is a phenyl ring or a 5- or 6-membered saturated or unsaturated heterocyclic ring, each ring optionally substituted with one or more substituents independently selected from halogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 3 -C 6 cycloalkyl, C 3 -C 6 halocycloalkyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy, C 1 -C 6 alkylthio, C 1 -C 6 haloalkylthio, C 1 -C 6 alkylsulfinyl, C 1 -C 6 haloalkylsufinyl, C 1 -C 6 alkylsulfonyl, C 1 -C 6 haloalkylsulfonyl, —CN, —NO 2 , —N(R 4 )R 5 , —C(W)N(R4)R 5 , —C(O)OR 5 and R 8 ; or —S(O) 2 N(R 21 )R 22 ; —S(O) p R 25 or —S(O)(═NR 28 )R 29 ; R 1 , R 2 , R 3 , R 4 , R 5 , R 8 , R 21 , R 22 , R 25 , R 28 , R 29 ; p and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  本发明涉及公式1的化合物，包括所有几何和立体异构体、N-氧化物和其盐，其中A1、A2和A3独立地选自CR3和N组成的群；B1、B2和B3独立地选自CR2和N组成的群；Q是苯环或5-或6-成员的饱和或不饱和杂环环，每个环可以选择地用一个或多个取代基独立地选自卤素、C1-C6烷基、C1-C6卤代烷基、C3-C6环烷基、C3-C6卤代环烷基、C1-C6烷氧基、C1-C6卤代烷氧基、C1-C6烷硫基、C1-C6卤代烷硫基、C1-C6烷基亚砜基、C1-C6卤代烷基亚砜基、C1-C6烷基磺酰基、C1-C6卤代烷基磺酰基、-CN、-NO2、-N(R4)R5、-C(W)N(R4)R5、-C(O)OR5和R8；或-S(O)2N(R21)R22；-S(O)pR25或-S(O)(═NR28)R29；R1、R2、R3、R4、R5、R8、R21、R22、R25、R28、R29；p和n如所述。本发明还涉及含有公式1化合物的组合物以及用化合物或本发明组合物的生物有效量接触无脊椎动物害虫或其环境来控制无脊椎动物害虫的方法。