4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)-benzoic acid amide

• 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-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)-benzoic acid amide
• 英文别名: 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide；4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
• 化学式: C₁₉H₁₂Cl₂F₆N₂O₂
• 分子量: 485.213
• InChiKey: BLJGBULKBZJROO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzoyl chloride 、 2,2,2-三氟乙基胺 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 生成 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)-benzoic acid amide
  参考文献：
  名称：

  ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT

  摘要：

  公开号：

  EP1731512B9

文献信息

• Isoxazoline-substituted benzamide compound and pesticide
  申请人：Mita Takeshi

  公开号：US20070066617A1

  公开（公告）日：2007-03-22

  An isoxazoline-substituted benzamide compound of formula (1) or a salt thereof: wherein A 1 , A 2 and A 3 independently of one another are carbon atom or nitrogen atom, G is benzene ring, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atm, C 1 -C 6 alkyl, etc., R 1 is C 1 -C 12 alkyl arbitrarily substituted with R 16 , C 3 -C 2 alkenyl, arbitrarily substituted with R 16 is oxygen atom or sulfur atom, —N(R 20 )R 19 , etc., R 2 is hydrogen atom, C 1 -C 4 alkoxy C 1 -C 6 alkyl, etc., R 3 is C 1 -C 6 haloalkyl, etc., R 16 is halogen atom, cyano, phenyl substituted with (Z) p1 , D-1 to D-60, E-1 to E-49, etc., R 19 is phenyl, phenyl substituted with (Z) p1 , etc., R 20 is hydrogen atom, C 1 -C 6 alkyl, etc., Z is halogen atom, nitro, C 1 -C 4 alkoxy, etc., D-1 to D-60 are 5- or 6-membered aromatic heterocyclic rings, E-1 to E-49 are 5- or 6-membered saturated heterocyclic rings, m is an integer of 0 to 5, n is an integer of 0 to 4, p1 is an integer of 1 to 5. The pesticide containing these compounds.

  一种公式（1）所示的异噁唑基取代的苯甲酰胺化合物或其盐： 其中A1，A2和A3独立地为碳原子或氮原子，G为苯环等，X为卤素原子，C1-C6卤代烷基等，Y为卤素原子，C1-C6烷基等，R1是任意取代的C1-C12烷基，或者任意取代的C3-C2烯基，取代基为R16，R16是卤素原子，氰基，苯基取代的（Z）p1，D-1至D-60，E-1至E-49等，R2为氢原子，C1-C4烷氧基C1-C6烷基等，R3为C1-C6卤代烷基等，R19为苯基，苯基取代的（Z）p1等，R20为氢原子，C1-C6烷基等，Z为卤素原子，硝基，C1-C4烷氧基等，D-1至D-60为5-或6-成员芳香杂环环，E-1至E-49为5-或6-成员饱和杂环，m为0至5的整数，n为0至4的整数，p1为1至5的整数。包含这些化合物的杀虫剂。
• ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE
  申请人：Mita Takeshi

  公开号：US20090312330A1

  公开（公告）日：2009-12-17

  An isoxazoline-substituted benzamide compound of formula (1) or a salt thereof: wherein A 1 , A 2 and A 3 independently of one another are carbon atom or nitrogen atom, G is benzene ring, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atm, C 1 -C 6 alkyl, etc., R 1 is C 1 -C 12 alkyl arbitrarily substituted with R 16 , C 3 -C 12 alkenyl, arbitrarily substituted with R 16 is oxygen atom or sulfur atom, —N(R 20 )R 19 , etc., R 2 is hydrogen atom, C 1 -C 4 alkoxy C 1 -C 6 alkyl, etc., R 3 is C 1 -C 6 haloalkyl, etc., R 16 is halogen atom, cyano, phenyl substituted with (Z) p1 , D-1 to D-60, E-1 to E-49, etc., R 19 is phenyl, phenyl substituted with (Z) p1 , etc., R 20 is hydrogen atom, C 1 -C 6 alkyl, etc., Z is halogen atom, nitro, C 1 -C 4 alkoxy, etc., D-1 to D-60 are 5- or 6-membered aromatic heterocyclic rings, E-1 to E-49 are 5- or 6-membered saturated heterocyclic rings, m is an integer of 0 to 5, n is an integer of 0 to 4, p1 is an integer of 1 to 5. The pesticide containing these compounds.

  一种公式（1）的异氧杂环取代苯甲酰胺化合物或其盐： 其中，A1，A2和A3独立地是碳原子或氮原子，G是苯环等，X是卤素原子，C1-C6卤代烷基等，Y是卤素原子，C1-C6烷基等，R1是任意取代R16的C1-C12烷基，任意取代R16的C3-C12烯基，是氧原子或硫原子，-N（R20）R19等，R2是氢原子，C1-C4烷氧基C1-C6烷基等，R3是C1-C6卤代烷基等，R16是卤素原子，氰基，苯基，其上取代有（Z）p1，D-1至D-60，E-1至E-49等，R19是苯基，其上取代有（Z）p1等，R20是氢原子，C1-C6烷基等，Z是卤素原子，硝基，C1-C4烷氧基等，D-1至D-60是5-或6-成员芳香杂环，E-1至E-49是5-或6-成员饱和杂环，m是0至5的整数，n是0至4的整数，p1是1至5的整数。含有这些化合物的杀虫剂。
• USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH
  申请人：Perret Jean-Luc

  公开号：US20130095126A1

  公开（公告）日：2013-04-18

  The present invention relates to the use of compounds of formula wherein the variables are as defined in the description, in the free form or in salt form, for controlling sea lice on fish.
• US7662972B2
  申请人：——

  公开号：US7662972B2

  公开（公告）日：2010-02-16
• US8022089B2
  申请人：——

  公开号：US8022089B2

  公开（公告）日：2011-09-20