5-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-fluorobenzonitrile | 1007317-81-8

• 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-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-fluorobenzonitrile
• 英文别名: 5-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-fluorobenzonitrile；5-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-fluorobenzonitrile；5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorobenzonitrile
• CAS: 1007317-81-8
• 化学式: C₁₇H₈Cl₂F₄N₂O
• 分子量: 403.163
• InChiKey: KWAOOHWHBJHUTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-fluorobenzonitrile 在 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 5-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-(methylsulfonyl)benzonitrile
  参考文献：
  名称：

  5-aryl isoxazolines for controlling invertebrate pests

  摘要：

  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。

  公开号：

  US07897630B2
• 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-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-fluorobenzonitrile
  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

• 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。
• METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND
  申请人：Yaosaka Manabu

  公开号：US20100137612A1

  公开（公告）日：2010-06-03

  There is provided a novel intermediate for producing pesticides. A method for producing 1,3-bis(substituted phenyl)-3-substituted-3-hydroxypropan-1-one compound of Formula (3) comprises reacting an aromatic ketone compound of Formula (4) and a substituted acetophenone compound of Formula (5) as starting raw materials in an organic solvent or water in the presence or absence of an additive in the presence of a base in a suspended state. A method for producing 1,3-bis(substituted phenyl)-3-substituted-2-propen-2-one compound of Formula (2) comprises dehydrating the compound of Formula (3). A method for producing compound (2) in one step comprises reacting compound (4) and compound (5) to obtain compound (3). Further, a method for producing an isoxazoline compound of Formula (1) comprises reacting compound (2) and a hydroxylamine in an aliphatic or an aromatic hydrocarbon solvent which is optionally substituted by a halogen atom by adding an additive selected from a phase-transfer catalyst, a C 1 -C 6 alcohol and an aprotic polar solvent in the presence of a base and water.

  提供了一种生产杀虫剂的新型中间体。生产公式（3）的1,3-双（取代苯基）-3-取代-3-羟基丙酮化合物的方法包括在有机溶剂或水中，在碱的存在下，在悬浮状态下以起始原料反应公式（4）的芳香酮化合物和公式（5）的取代乙酰苯酮化合物，有或无添加剂的情况下。生产公式（2）的1,3-双（取代苯基）-3-取代-2-丙烯-2-酮化合物的方法包括脱水公式（3）的化合物。一步生产化合物（2）的方法包括反应化合物（4）和化合物（5）以获得化合物（3）。此外，生产公式（1）的异噁唑啉化合物的方法包括在脂肪族或芳香族烃溶剂中反应化合物（2）和羟胺，该烃溶剂可由卤素原子选择性取代，通过添加选择自相转移催化剂、C1-C6醇和无水极性溶剂中的一种添加剂，在碱和水的存在下。
• N-Methyl benzamide derivatives
  申请人：Coqueron Pierre-Yves

  公开号：US20100249191A1

  公开（公告）日：2010-09-30

  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.

  式(I)中的新异噁唑啉，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；G代表规范中描述的任意一个杂环基团；以及中间体，以及将其用作杀虫剂和/或控制动物寄生虫的用途。
• Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound
  申请人：Yaosaka Manabu

  公开号：US08952175B2

  公开（公告）日：2015-02-10

  There is provided a novel intermediate for producing pesticides. A method for producing the compound of Formula (3) comprises reacting an aromatic ketone compound of Formula (4) and a substituted acetophenone compound of Formula (5) as starting raw materials in an organic solvent or water in the presence or absence of an additive in the presence of a base in a suspended state. A method may comprise dehydrating the compound of Formula (3). A method for producing compound (2) in one step comprises reacting compound (4) and compound (5) to obtain compound (3). Further, a method for producing an isoxazoline compound of Formula (1) comprises reacting compound (2) and a hydroxylamine in an aliphatic or an aromatic hydrocarbon solvent which is optionally substituted by a halogen atom by adding an additive selected from a phase-transfer catalyst, a C1-C6 alcohol and an aprotic polar solvent in the presence of a base and water.

  提供了一种新型杀虫剂中间体。一种制备化合物（3）的方法包括在有机溶剂或水中，在基础物质的存在下或不存在添加剂的情况下，以悬浮状态反应化合物（4）的芳香酮化合物和化合物（5）的取代乙酰苯酮化合物作为起始原料。该方法可以包括脱水化合物（3）。一种一步制备化合物（2）的方法包括反应化合物（4）和化合物（5）以获得化合物（3）。此外，一种制备式（1）异噁唑烷化合物的方法包括在脂肪族或芳香族碳氢溶剂中反应化合物（2）和羟胺，所述溶剂可以选择性地被卤素原子取代，通过添加相转移催化剂、C1-C6醇和无水极性溶剂中选择的添加剂，在存在碱和水的情况下。