1-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)-4-isoquinolinecarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)-4-isoquinolinecarboxamide
• 英文别名: 1-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
• 化学式: C₂₆H₁₇Cl₂F₃N₄O₂
• 分子量: 545.348
• InChiKey: RGQHUBAIPLIAFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  76.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-溴异喹啉 在 selenium(IV) oxide 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 N-氯代丁二酰亚胺 、 羟胺 、 双氧水 、 溶剂黄146 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 1-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)-4-isoquinolinecarboxamide
  参考文献：
  名称：

  Insecticidal quinoline and isoquinoline isoxazolines

  摘要：

  A series of quinoline and isoquinoline isoxazolines have been designed as pesticides for crop protection. Herein we reported the chemical synthesis, biological activity and structure-activity relationships. The isoquinoline derivative, such as 3i, is discovered as potent new class of isoxazoline insecticide which is competitive with commercial insecticide Indoxacarb.

  DOI：

  10.1016/j.bmcl.2014.06.004

文献信息

• Isoxazolines for Controlling Invertebrate Pests
  申请人：Lahm George Philip

  公开号：US20100234219A1

  公开（公告）日：2010-09-16

  Disclosed are compounds of Formula (1), including all geometric and stereoisomers, N-oxides, and salts thereof, Formula (1): wherein A 1 , A 2 , A 3 , A 4 , A 5 and A 6 are independently, selected from the group consisting of CR 3 and N; provided that at most 3 of A 1 , A 2 , A 3 ; A 4 , A 5 and A 6 is N; B 1 , B 2 and B 3 are independently selected from the group consisting of CR 2 . and N; each R 3 is independently H, halogen, C 1 -C 6 alkyl, C1-C6 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, C1-C6 haloalkylsulfinyl, C 1 -C 6 alkylsulfonyl, C 1 -C 6 haloalkylsulfo?yl, C 1 -C 6 alkylamino, C 2 -G 6 dialkylamino, —CN or —NO 2 ; and R 1 , R 2 , R 4 , R 5 , W 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.

  本发明公开了式（1）的化合物，包括所有的几何和立体异构体、N-氧化物和其盐，式（1）：其中，A1、A2、A3、A4、A5和A6独立地选自CR3和N的群组，但最多只有3个为N；B1、B2和B3独立地选自CR2和N的群组；每个R3独立地选自H、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、C1-C6烷基氨基、C2-G6二烷基氨基、—CN或—NO2；以及R1、R2、R4、R5、W和n在本文中的定义。本发明还公开了含有式（1）的化合物的组合物以及用一种本发明的化合物或组合物的生物有效量与无脊椎动物害虫或其环境接触来控制无脊椎动物害虫的方法。
• ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS
  申请人：LAHM George Philip

  公开号：US20130029845A1

  公开（公告）日：2013-01-31

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein A 1 , A 2 , A 3 , A 4 , A 5 and A 6 are independently selected from the group consisting of CR 3 and N; provided that at most 3 of A 1 , A 2 , A 3 , A 4 , A 5 and A 6 is N; B 1 , B 2 and B 3 are independently selected from the group consisting of CR 2 and N; each R 3 is independently H, 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, C 1 -C 6 alkylamino, C 2 -C 6 dialkylamino, —CN or —NO 2 ; and R 1 , R 2 , R 4 , R 5 , W 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1的化合物，包括所有的几何和立体异构体、N-氧化物和其盐，其中A1、A2、A3、A4、A5和A6独立地选自CR3和N的群组，前提是A1、A2、A3、A4、A5和A6中最多只有3个是N；B1、B2和B3独立地选自CR2和N的群组；每个R3独立地为H、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、C1-C6烷基氨基、C2-C6双烷基氨基、—CN或—NO2；以及R1、R2、R4、R5、W和n如所述。本发明还公开了包含式子1化合物的组合物以及用化合物或本发明的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。
• Isoxazolines For Controlling Invertebrate Pests
  申请人：Lahm George Philip

  公开号：US20110263641A1

  公开（公告）日：2011-10-27

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein A 1 , A 2 , A 3 , A 4 , A 5 and A 6 are independently selected from the group consisting of CR 3 and N; provided that at most 3 of A 1 , A 2 , A 3 , A 4 , A 5 and A 6 is N; B 1 , B 2 and B 3 are independently selected from the group consisting of CR 2 and N; each R 3 is independently H, 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 halo alkylthio, C 1 -C 6 alkyl sulfinyl, C 1 -C 6 haloalkylsulfinyl, C 1 -C 6 alkylsulfonyl, C 1 -C 6 haloalkylsulfonyl, C 1 -C 6 alkylamino, C 2 -C 6 dialkylamino, —CN or —NO 2 ; and R 1 , R 2 , R 4 , R 5 , W 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，包括所有的几何和立体异构体、N-氧化物和其盐，其中A1、A2、A3、A4、A5和A6独立地选自CR3和N的群组，但最多只有3个A1、A2、A3、A4、A5和A6是N；B1、B2和B3独立地选自CR2和N的群组；每个R3独立地选自H、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、C1-C6烷基氨基、C2-C6二烷基氨基、—CN或—NO2；R1、R2、R4、R5、W和n如本文所定义。本发明还涉及含有公式1化合物的组合物和控制无脊椎动物害虫的方法，包括将该化合物或本发明的组合物的生物有效量与无脊椎动物害虫或其环境接触。
• US7964204B2
  申请人：——

  公开号：US7964204B2

  公开（公告）日：2011-06-21
• US8231888B2
  申请人：——

  公开号：US8231888B2

  公开（公告）日：2012-07-31