N-[amino(methoxy)methylidene]-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoic acid amide | 1056459-47-2

• 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: N-[amino(methoxy)methylidene]-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoic acid amide
• 英文别名: methyl N-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]carbamimidate
• CAS: 1056459-47-2
• 化学式: C₂₀H₁₆Cl₂F₃N₃O₃
• 分子量: 474.267
• InChiKey: GCURIORCWWFOGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  O-甲基异脲 半硫酸盐 、 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazol-3-yl]-2-methylbenzoyl chloride 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成 N-[amino(methoxy)methylidene]-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoic acid amide
  参考文献：
  名称：

  EP2151437

  摘要：

  公开号：

文献信息

• ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE
  申请人：MITA Takeshi

  公开号：US20110144334A1

  公开（公告）日：2011-06-16

  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., W is oxygen atom or sulfur atom, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atom, C 1 -C 6 alkyl, etc., R 1 is —CH═NOR 1a , —C(O)OR 1c , —C(O)NHR 1d , phenyl substituted with (Z) p1 , D-14, D-52, D-53, D-55 to D-59, etc., R 1a is C 1 -C 6 alkyl, etc., R 1c is C 1 -C 6 alkyl, etc., R 1d is hydrogen atom, —C(O)R 15 , —C(O)OR 15 , etc., R 2 is C 1 -C 6 alkyl, —CH 2 R 14a , C 1 -C 6 alkynyl, —C(O)R 15 , —C(O)OR 15 , etc., further when R 1 is —CH═NOR 1a , —C(O)OR 1c or —C(O)N(R 1e )R 1d , R 2 may be hydrogen atom, R 3 is C 1 -C 6 haloalkyl, etc., R 14a is cyano, —OR 25 , etc., R 15 is C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 4 alkoxy C 1 -C 4 alkyl, C 1 -C 4 alkylthio C 1 -C 4 alkyl, C 3 -C 6 cycloalkyl, C 2 -C 6 alkenyl, etc., R 25 is C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, —C(O)R 32 or —C(O)OR 32 , etc., R 32 is C 1 -C 6 alkyl or C 3 -C 6 cycloalkyl, etc., Z is halogen atom, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, etc., 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）的异噁唑取代苯甲酰胺化合物或其盐： 其中，A1，A2和A3彼此独立地是碳原子或氮原子，G是苯环等，W是氧原子或硫原子等，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-CH═NOR1a，-C（O）OR1c，-C（O）NHR1d，苯基上取代（Z）p1，D-14，D-52，D-53，D-55至D-59等，R1a是C1-C6烷基等，R1c是C1-C6烷基等，R1d是氢原子，-C（O）R15，-C（O）OR15等，R2是C1-C6烷基，-CH2R14a，C1-C6炔基，-C（O）R15，-C（O）OR15等，进一步地，当R1是-CH═NOR1a，-C（O）OR1c或-C（O）N（R1e）R1d时，R2可以是氢原子，R3是C1-C6卤代烷基等，R14a是氰基，-OR25等，R15是C1-C6烷基，C1-C6卤代烷基，C1-C4烷氧基C1-C4烷基，C1-C4烷硫氧基C1-C4烷基，C3-C6环烷基，C2-C6烯基等，R25是C1-C4烷基，C1-C4卤代烷基，-C（O）R32或-C（O）OR32等，R32是C1-C6烷基或C3-C6环烷基等，Z是卤素原子，氰基，硝基，C1-C6烷基，C1-C6烷氧基等，m是0到5的整数，n是0到4的整数，p1是1到5的整数。含有这些化合物的杀虫剂。
• ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PEST CONTROL AGENT
  申请人：Mita Takeshi

  公开号：US20100144797A1

  公开（公告）日：2010-06-10

  Novel pest control agents, particularly insecticides or miticides are provided. Isoxazoline-substituted benzamide compounds of General Formula (1) or a salt thereof: (where A 1 , A 2 and A 3 are independently C or N, G is a benzene ring, etc., Q is a structure of Q-1, Q-2 or Q3: (where, for example, R 1 in Q-1 is a C 1 to C 4 haloalkyl, etc., and R 2 is H, etc., R 1 in Q-2 is —OR 1a , etc., R 1a is a C 1 to C 4 alkyl, etc., and R 2 is H, etc.), W is O or S, X is a halogen atom, a C 1 to C 2 haloalkyl, etc., Y is a halogen atom, a C 1 to C 2 alkyl, etc., R 3 is a C 1 to C 2 haloalkyl, etc., m is an integer of 1-3, etc., and n is an integer of 0 or 1, etc.), and pest control agents containing the compounds.

  提供新型的害虫控制剂，特别是杀虫剂或杀螨剂。所提供的化合物为以异噁唑基取代的苯甲酰胺类化合物，通式为（1），或其盐： 其中，A1、A2和A3独立地为C或N，G为苯环等，Q为Q-1、Q-2或Q3的结构： 例如，Q-1中的R1为C1到C4卤代烷基等，R2为H等；Q-2中的R1为—OR1a等，R1a为C1到C4烷基等，R2为H等；W为O或S，X为卤原子、C1到C2卤代烷基等，Y为卤原子、C1到C2烷基等，R3为C1到C2卤代烷基等，m为1-3的整数等，n为0或1的整数等。所述化合物可用于制备害虫控制剂。
• Isoxazoline-substituted benzamide compound and pest control agent
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US08119671B2

  公开（公告）日：2012-02-21

  Novel pest control agents, particularly insecticides or miticides are provided. Isoxazoline-substituted benzamide compounds of General Formula (1) or a salt thereof: (where A1, A2 and A3 are independently C or N, G is a benzene ring, etc., Q is a structure of Q-1, Q-2 or Q3: (where, for example, R1 in Q-1 is a C1 to C4 haloalkyl, etc., and R2 is H, etc., R1 in Q-2 is —OR1a, etc., R1a is a C1 to C4 alkyl, etc., and R2 is H, etc.), W is O or S, X is a halogen atom, a C1 to C2 haloalkyl, etc., Y is a halogen atom, a C1 to C2 alkyl, etc., R3 is a C1 to C2 haloalkyl, etc., m is an integer of 1-3, etc., and n is an integer of 0 or 1, etc.), and pest control agents containing the compounds.

  提供了新型的害虫控制剂，尤其是杀虫剂或杀螨剂。该控制剂为一种以异噁唑烷基取代的苯甲酰胺化合物，其通式为（1），或其盐：其中A1、A2和A3独立地为C或N，G为苯环等，Q为Q-1、Q-2或Q3的结构：（例如，在Q-1中，R1为C1至C4的卤代烷基等，R2为H等，在Q-2中，R1为-O-R1a等，R1a为C1至C4的烷基等，R2为H等），W为O或S，X为卤原子，C1至C2的卤代烷基等，Y为卤原子，C1至C2的烷基等，R3为C1至C2的卤代烷基等，m为1-3的整数等，n为0或1的整数等。同时，还提供了含有该化合物的害虫控制剂。
• Isoxazoline compositions and their use as antiparasitics
  申请人：Intervet International B.V.

  公开号：EP2545777A1

  公开（公告）日：2013-01-16

  This invention relates to methods for controlling parasitic infestations of animals and their environments, and, more particularly, to methods using isoxazolines to control parasites in or on animals or in their environments, as well as treat parasitoses of animals. The isoxazolines include 4-(isoxazolinyl)-benzamides (specifically, substituted 4-(5-(halomethyl)-5-phenyl-isoxazolin-3-yl)-benzamides) and 4-(isoxazolinyl)-benzothioamides (specifically, substituted 4-(5-(halomethyl)-5-phenyl-isoxazolin-3-yl)-benzothioamides). This invention also relates to compositions comprising the isoxazolines for use in such methods, the use of the isoxazolines to make medicaments for use in such methods, and kits comprising the isoxazolines for carrying out such methods. This invention further relates to the use of the isoxazolines as medicaments, particularly medicaments that can be used in the above-referenced methods.

  本发明涉及控制动物及其环境中寄生虫侵扰的方法，更具体地说，涉及使用异噁唑类药物控制动物体内或动物身上或动物环境中的寄生虫以及治疗动物寄生虫病的方法。异噁唑啉类包括 4-(异噁唑啉基)-苯甲酰胺类（特别是取代的 4-(5-(卤甲基)-5-苯基-异噁唑啉-3-基)-苯甲酰胺类）和 4-(异噁唑啉基)-硫代苯甲酰胺类（特别是取代的 4-(5-(卤甲基)-5-苯基-异噁唑啉-3-基)-硫代苯甲酰胺类）。本发明还涉及用于此类方法的包含异噁唑啉类化合物的组合物，使用异噁唑啉类化合物制造用于此类方法的药物，以及用于实施此类方法的包含异噁唑啉类化合物的试剂盒。本发明还涉及异噁唑类化合物作为药物的用途，特别是可用于上述方法的药物。
• ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS FOR FELINES
  申请人：Intervet International B.V.

  公开号：EP3473101A1

  公开（公告）日：2019-04-24

  This invention relates to methods for controlling parasitic infestations of animals and their environments, and, more particularly, to methods using isoxazolines to control parasites in or on animals or in their environments, as well as treat parasitoses of animals. The isoxazolines include 4-(isoxazolinyl)-benzamides (specifically, substituted 4-(5-(halomethyl)-5-phenyl-isoxazolin-3-yl)-benzamides) and 4-(isoxazolinyl)-benzothioamides (specifically, substituted 4-(5-(halomethyl)-5-phenyl-isoxazolin-3-yl)-benzothioamides). This invention also relates to compositions comprising the isoxazolines for use in such methods, the use of the isoxazolines to make medicaments for use in such methods, and kits comprising the isoxazolines for carrying out such methods. This invention further relates to the use of the isoxazolines as medicaments, particularly medicaments that can be used in the above-referenced methods.

  本发明涉及控制动物及其环境中寄生虫侵扰的方法，更具体地说，涉及使用异噁唑类药物控制动物体内或动物身上或动物环境中的寄生虫以及治疗动物寄生虫病的方法。异噁唑啉类包括 4-(异噁唑啉基)-苯甲酰胺类（特别是取代的 4-(5-(卤甲基)-5-苯基-异噁唑啉-3-基)-苯甲酰胺类）和 4-(异噁唑啉基)-硫代苯甲酰胺类（特别是取代的 4-(5-(卤甲基)-5-苯基-异噁唑啉-3-基)-硫代苯甲酰胺类）。本发明还涉及用于此类方法的包含异噁唑啉类化合物的组合物，使用异噁唑啉类化合物制造用于此类方法的药物，以及用于实施此类方法的包含异噁唑啉类化合物的试剂盒。本发明还涉及异噁唑类化合物作为药物的用途，特别是可用于上述方法的药物。