1-Methyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid | 1196157-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
• 英文别名: 1-methyl-4-(trifluoromethyl)pyrrole-2-carboxylic acid
• CAS: 1196157-55-7
• 化学式: C₇H₆F₃NO₂
• 分子量: 193.12
• InChiKey: COPKUWWKWATCIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Carboxamides as fungicides in agriculture
  申请人：——

  公开号：US20040138265A1

  公开（公告）日：2004-07-15

  The invention concerns novel carboxamides of formula (I) wherein A is (A1), (A2), (A3), (A4), (A5); Q is (Q1), (Q2), (Q3), (Q4), (Q5), (Q6); R 1 is CH 2 R 2 , CH 2 CH═CHR 2 , CH═C═CHR 2 or COR 3 ; R 2 is hydrogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, C 3 -C 7 cycloalkyl, COOC 1 -C 4 alkyl, COOC 3 -C 6 alkenyl, COOC 3 -C 6 alkynyl or CN; R 3 is C 1 -C 6 alkyl, C 1 -C 6 alkyl substituted by halogen, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; or is C 1 -C 6 alkylthio, C 1 -C 6 haloalkylthio, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy; C 3 -C 6 alkenyloxy or C 3 -C 6 haloalkenyloxy; C 3 -C 6 haloalkenyloxy; C 3 -C 6 alkynyloxy or C 3 -C 6 haloalkynyloxy; R 4 is methyl, CF 2 Cl, CF 3 , CF 2 H, CFH 2 , Cl or Br, R 5 is methyl, CF 3 , CH 2 OCH 3 or CH 2 OCF 3 ; R 6 is hydrogen, fluoro, CF 3 or methyl; R 7 is hydrogen, methyl or halogen; and Z is phenyl, halophenyl, C 5 -C 7 cycloalkyl, C 5 -C 7 acycloalkyl substituted by C 1 -C 3 alkyl, C 1 C 3 haloalkyl or halogen, or a group of the form —CHR 8 —CH 2 —CHR 9 R 10 wherein R 8 , R 9 and R 10 are independently of each other C 1 -C 3 alkyl. The novel compounds have plant-protective properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms, in particular fungi.

  该发明涉及一种新型的化合物，其化学式为(I)，其中A为(A1)，(A2)，(A3)，(A4)，(A5)；Q为(Q1)，(Q2)，(Q3)，(Q4)，(Q5)，(Q6)；R1为CH2R2，CH2CH═CHR2，CH═C═CHR2或COR3；R2为氢，C1-C6烷基，C1-C6卤代烷基，C2-C6烯基，C2-C6炔基，C3-C7环烷基，COOC1-C4烷基，COOC3-C6烯基，COOC3-C6炔基或CN；R3为C1-C6烷基，C1-C6烷基取代卤素，C1-C6烷氧基或C1-C6卤代烷氧基；或为C1-C6烷基硫基，C1-C6卤代烷基硫基，C1-C6烷氧基，C1-C6卤代烷氧基；C3-C6烯氧基或C3-C6卤代烯氧基；C3-C6卤代烯氧基；C3-C6炔氧基或C3-C6卤代炔氧基；R4为甲基，CF2Cl，CF3，CF2H，CFH2，氯或溴，R5为甲基，CF3，CH2OCH3或CH2OCF3；R6为氢，氟，CF3或甲基；R7为氢，甲基或卤素；Z为苯基，卤代苯基，C5-C7环烷基，C5-C7环烷基取代C1-C3烷基，C1-C3卤代烷基或卤素，或形式为—CHR8—CH2—CHR9R10的基团，其中R8，R9和R10独立地为C1-C3烷基。这些新型化合物具有植物保护性能，并适用于保护植物免受植物病原微生物，特别是真菌的侵害。
• CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE
  申请人：Syngenta Participations AG

  公开号：EP1355879A1

  公开（公告）日：2003-10-29
• US7332518B2
  申请人：——

  公开号：US7332518B2

  公开（公告）日：2008-02-19
• [EN] CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE<br/>[FR] CARBOXAMIDES UTILISES COMME FONGICIDES EN AGRICULTURE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2002059086A1

  公开（公告）日：2002-08-01

  The invention concerns novel carboxamides of formula (I) wherein A is (A1), (A2), (A3), (A4), (A5); Q is (Q1), (Q2), (Q3), (Q4), (Q5), (Q6); R1 is CH2 R2, CH2CH=CHR2, CH=C=CHR2 or COR3; R2 is hydrogen, C1-C6alkyl, C1-C6haloalkyl, C2-C6alkenyl, C2-C6alkynyl, C3-C7cycloalkyl, COOC1-C4alkyl, COOC3-C6alkenyl, COOC3-C6alkynyl or CN; R3 is C1-C6alkyl, C1-C6alkyl substituted by halogen, C1-C6alkoxy or C1-C6haloalkoxy; or is C1-C6alkylthio, C1-C6haloalkylthio, C1-C6alkoxy, C1-C6haloalkoxy; C3-C6alkenyloxy or C3-C6haloalkenyloxy; C3-C6haloalkenyloxy; C3-C6alkynyloxy or C3-C6haloalkynyloxy; R4 is methyl, CF2Cl, CF3, CF2H, CFH2, Cl or Br; R5 is methyl, CF3, CH2OCH3 or CH2OCF3; R6 is hydrogen, fluoro, CF3 or methyl; R7 is hydrogen, methyl or halogen; and Z is phenyl, halophenyl, C5-C7cycloalkyl, C5-C7cycloalkyl substituted by C1-C3alkyl, C1-C3haloalkyl or halogen, or a group of the form -CHR8-CH2-CHR9R10 wherein R8, R9 and R10 are independently of each other C1-C3alkyl. The novel compounds have plant-protective properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms, in particular fungi.