1-(2,6-dimethylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methyleneamino]thiourea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(2,6-dimethylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methyleneamino]thiourea
• 英文别名: 1-(2,6-dimethylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methylideneamino]thiourea
• 化学式: C₂₈H₂₂F₃N₅OS
• 分子量: 533.577
• InChiKey: FNWAPJJGBJPHDO-ROPCREHHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(2,6-dimethylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methyleneamino]thiourea 、 溴乙酸甲酯 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以93%的产率得到(2Z)-3-(2,6-dimethylphenyl)-2-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methylenehydrazono]thiazolidin-4-one
  参考文献：
  名称：

  [EN] PESTICIDE COMPOUNDS
  [FR] COMPOSÉS PESTICIDES

  摘要：

  本发明涉及公式I的新化合物及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐，其中C1为C或CH；C2为C或CH；A1为N或C；A2为N、C(R2)、N(R3)、O、S或C(R4,R5)；A3为N、O、S、N(R6)、C(R7)或C(R8,R9)；其中由C1、C2、A1、A2和A3形成的5元环中的一个或两个非相邻键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N(R3)或N(R6)，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和(R)k的定义如权利要求和说明书中所述，用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。

  公开号：

  WO2015007682A1
• 作为产物：
  描述：

  6-溴-2-萘甲酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium periodate 、 四氧化锇 、 tin(II) chloride dihdyrate 、 叠氮磷酸二苯酯 、 硝酸 、 copper diacetate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 、 水 、 甲苯 、 叔丁醇 为溶剂， 反应 107.0h， 生成 1-(2,6-dimethylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methyleneamino]thiourea
  参考文献：
  名称：

  [EN] PESTICIDE COMPOUNDS
  [FR] COMPOSÉS PESTICIDES

  摘要：

  本发明涉及公式I的新化合物及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐，其中C1为C或CH；C2为C或CH；A1为N或C；A2为N、C(R2)、N(R3)、O、S或C(R4,R5)；A3为N、O、S、N(R6)、C(R7)或C(R8,R9)；其中由C1、C2、A1、A2和A3形成的5元环中的一个或两个非相邻键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N(R3)或N(R6)，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和(R)k的定义如权利要求和说明书中所述，用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。

  公开号：

  WO2015007682A1

文献信息

• Pesticide Compounds
  申请人：BASF SE

  公开号：US20160157491A1

  公开（公告）日：2016-06-09

  The present invention relates to novel compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C 1 is C or CH; C 2 is C or CH; A 1 is N or C; A 2 is N, C(R 2 ), N(R 3 ), O, S or C(R 4 ,R 5 ); and A 3 is N, O, S, N(R 6 ), C(R 7 ) or C(R 8 ,R 9 ); where one or two non-adjacent bonds in the 5-membered ring formed by C 1 , C 2 , A 1 , A 2 and A 3 are double bonds, while the others are single bonds, provided that the bond between A 1 and A 2 or the bond between A 1 and C 1 or the bond between A 2 and A 3 or the bond between C 1 and C 2 or the bond between A 3 and C 2 is a double bond further provided that at least one of A 1 , A 2 and A 3 is N, N(R 3 ) or N(R 6 ), and where Ar, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and (R) k are as defined in the claims and in the description, which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及式I及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐的新化合物，其中C1为C或CH; C2为C或CH; A1为N或C; A2为N、C（R2）、N（R3）、O、S或C（R4，R5）; A3为N、O、S、N（R6）、C（R7）或C（R8，R9）; 在由C1、C2、A1、A2和A3形成的5元环中，一个或两个非相邻的键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N（R3）或N（R6），其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和（R）k如权利要求和说明书中所定义，该化合物对于防治或控制无脊椎动物害虫，特别是节肢动物害虫和线虫有用。本发明还涉及使用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。
• PESTICIDE COMPOUNDS
  申请人：BASF SE

  公开号：EP3022185A1

  公开（公告）日：2016-05-25
• US9497970B2
  申请人：——

  公开号：US9497970B2

  公开（公告）日：2016-11-22
• [EN] FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CON-TROLLING INVERTEBRATE PESTS<br/>[FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS, COMPOSITIONS COMPRENANT CES COMPOSÉS ET LEUR UTILISATION AUX FINS DE LUTTE CONTRE LES INVERTÉBRÉS NUISIBLES
  申请人：BASF SE

  公开号：WO2016113261A1

  公开（公告）日：2016-07-21

  The present invention relates to novel fused tricyclic compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C1 is C or CH; C2 is C or CH; A1 is N or C; A2 is N, C(R2), N(R3), O, S or C(R4,R5); and A3 is N, O, S, N(R6), C(R7) or C(R8,R9); where one or two non-adjacent bonds in the 5-membered ring formed by C1, C2, A1, A2 and A3 are double bonds, while the others are single bonds, provided that the bond between A1 and A2 or the bond between A1 and C or the bond between A2 and A3 or the bond between C1 and C2 or the bond between A3 and C2 is a double bond further provided that at least one of A1, A2 and A3 is N, N(R3) or N(R6), and where Ar, R1, R2, R3, R4, R5, R6, R7, R8, R9 and (R)k are as defined in the claims. The compounds of formula (I), as well as the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof, are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.
• [EN] PESTICIDE COMPOUNDS<br/>[FR] COMPOSÉS PESTICIDES
  申请人：BASF SE

  公开号：WO2015007682A1

  公开（公告）日：2015-01-22

  The present invention relates to novel compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C1 is C or CH; C2 is C or CH; A1 is N or C; A2 is N, C(R2), N(R3), O, S or C(R4,R5); and A3 is N, O, S, N(R6), C(R7) or C(R8,R9); where one or two non-adjacent bonds in the 5-membered ring formed by C1, C2, A1, A2 and A3 are double bonds, while the others are single bonds, provided that the bond between A1 and A2 or the bond between A1 and C1 or the bond between A2 and A3 or the bond between C1 and C2 or the bond between A3 and C2 is a double bond further provided that at least one of A1, A2 and A3 is N, N(R3) or N(R6), and where Ar, R1, R2, R3, R4,R5, R6, R7, R8, R9 and (R)k are as defined in the claims and in the description, which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式I的新化合物及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐，其中C1为C或CH；C2为C或CH；A1为N或C；A2为N、C(R2)、N(R3)、O、S或C(R4,R5)；A3为N、O、S、N(R6)、C(R7)或C(R8,R9)；其中由C1、C2、A1、A2和A3形成的5元环中的一个或两个非相邻键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N(R3)或N(R6)，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和(R)k的定义如权利要求和说明书中所述，用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。