3-fluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide | 907204-72-2

• 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: 3-fluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide
• 英文别名: N-(3'-chloro-4'-fluorobiphenyl-2-yl)-3-fluoromethyl-1-methyl-1H-pyrazole-4-carboxamide；N-[2-(3-chloro-4-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
• CAS: 907204-72-2
• 化学式: C₁₈H₁₄ClF₂N₃O
• 分子量: 361.778
• InChiKey: VGTYWJSHPTZEBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(fluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride 、 3'-氯-4'-氟-2-联苯胺 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 3-fluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide
  参考文献：
  名称：

  WO2006/87343

  摘要：

  公开号：

文献信息

• Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi
  申请人：Gewehr Markus

  公开号：US20080153707A1

  公开（公告）日：2008-06-26

  The present invention relates to pyrazolecarboxanilides I in which the variables are as defined below: n is zero or 2; m is 2 or 3; X 1 is fluorine or chlorine; X 2 is halogen; Y is CN, NO 2 , C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, methoxy or methylthio; p is zero or 1; R 1 is fluorine, chlorine, bromine, C 1 -C 4 -alkyl or C 1 -C 4 -haloalkyl; R 2 is hydrogen or halogen; R 3 is hydrogen, methyl or ethyl; W is O or S; with the proviso that, if a) W═O, R 1 =methyl and R 3 is hydrogen, R 2 is not fluorine, or b) W═O, n=0, m=2, p=0, R 2 and R 3 are hydrogen, R 1 is not trifluoromethyl or difluoromethyl, to processes for preparing these compounds, to compositions comprising them and to methods for using them for controlling harmful fungi.

  本发明涉及吡唑羧酰胺I，其中变量定义如下：n为零或2；m为2或3；X1为氟或氯；X2为卤素；Y为CN，NO2，C1-C4-烷基，C1-C4-卤代烷基，甲氧基或甲硫基；p为零或1；R1为氟，氯，溴，C1-C4-烷基或C1-C4-卤代烷基；R2为氢或卤素；R3为氢，甲基或乙基；W为O或S；前提是，如果a）W═O，R1=甲基且R3为氢，R2不为氟，或b）W═O，n=0，m=2，p=0，R2和R3为氢，R1不为三氟甲基或二氟甲基，则本发明还涉及制备这些化合物的方法，包括它们的组合物以及用于控制有害真菌的方法。
• Pyrazolecarboxanilides, process for their preparation and compositions comprising them for controlling harmful fungi
  申请人：BASF Aktiengesellschaft

  公开号：US08008232B2

  公开（公告）日：2011-08-30

  The present invention relates to pyrazolecarboxanilides I in which the variables are as defined below: n is zero or 2; m is 2 or 3; X1 is fluorine or chlorine; X2 is halogen; Y is CN, NO2, C1-C4-alkyl, C1-C4-haloalkyl, methoxy or methylthio; p is zero or 1; R1 is fluorine, chlorine, bromine, C1-C4-alkyl or C1-C4-haloalkyl; R2 is hydrogen or halogen; R3 is hydrogen, methyl or ethyl; W is O or S; with the proviso that, if a) W=O, R1=methyl and R3 is hydrogen, R2 is not fluorine, or b) W=O, n=0, m=2, p=0, R2 and R3 are hydrogen, R1 is not trifluoromethyl or difluoromethyl, to processes for preparing these compounds, to compositions comprising them and to methods for using them for controlling harmful fungi.

  本发明涉及吡唑羧酰胺I，其中变量如下所定义：n为零或2；m为2或3；X1为氟或氯；X2为卤素；Y为CN、NO2、C1-C4-烷基、C1-C4-卤代烷基、甲氧基或甲硫基；p为零或1；R1为氟、氯、溴、C1-C4-烷基或C1-C4-卤代烷基；R2为氢或卤素；R3为氢、甲基或乙基；W为O或S；前提是如果a）W=O，R1=甲基，R3为氢，R2不是氟；b）W=O，n=0，m=2，p=0，R2和R3为氢，R1不是三氟甲基或二氟甲基，则本发明还涉及制备这些化合物的方法、包含它们的组合物以及使用它们控制有害真菌的方法。
• US8008232B2
  申请人：——

  公开号：US8008232B2

  公开（公告）日：2011-08-30