3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3-iodo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-methoxyamide | 1384835-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3-iodo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-methoxyamide
• 英文别名: 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3-iodo-6,7,8,9-tetrahydro-5-H-benzocyclohepten-5-yl)-methoxy-amide；3-(difluoromethyl)-N-(3-iodo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-N-methoxy-1-methylpyrazole-4-carboxamide
• CAS: 1384835-99-7
• 化学式: C₁₈H₂₀F₂IN₃O₂
• 分子量: 475.277
• InChiKey: GKZMBCRTFNUGAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基苯并软木酮 在 吡啶 、 sodium cyanoborohydride 、 对甲苯磺酸 、 溶剂黄146 、 三乙胺 、 potassium iodide 、 sodium nitrite 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 29.67h， 生成 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3-iodo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-methoxyamide
  参考文献：
  名称：

  PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES

  摘要：

  式(I)的化合物，其中R1是C1-C4烷基，C1-C4卤代烷基或C1-C4烷氧基; R2是C1-C4烷基; R3是氢或卤素; R4是氢，C1-C4烷基或C1-C4卤代烷基; R5是氢，卤素或C1-C4烷基; R6是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基; R7是氢，卤素，C1-C6烷基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基; R5是氢，卤素，C1-C4烷基，C2-C6烯基，C3-C6炔基，氨基，C1-C6烷基羰基氨基，C1-C6烷氧羰基氨基或C3-C6环烷基羰基氨基; R9是氢，卤素，C1-C6烷基，C1-C6烷氧基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，卤代苯氧基，卤代苯基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基; R10是氢，卤素，C1-C4烷基，C1-C6烷氧基，C2-C6烯基或C3-C6炔基; X是CH2，O或S; n为0，1或2; 这些化合物的农业上可接受的盐/异构体/结构异构体/立体异构体/对映异构体/互变异构体和N-氧化物，适用于用作微生物杀菌剂。

  公开号：

  US20130281505A1

文献信息

• [EN] PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES<br/>[FR] DÉRIVÉS DE PYRAZOL-4-YLCARBOXAMIDE EN TANT QUE MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2012093100A1

  公开（公告）日：2012-07-12

  Compounds of formula (I) wherein R1 is C1-C4alkyl, C1-C4haloalkyl or C1-C4alkoxy; R2 is C1-C4alkyl; R3 is hydrogen or halogen; R4 is hydrogen, C1-C4alkyl or C1-C4halogenalkyl; R5 is hydrogen, halogen or C1-C4alkyl;R6 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl or C3-C6alkynyl; R7 is hydrogen, halogen, C1-C6alkyl, C2-C6alkenyl, C3-C6alkynyl, C3-C6cycloalkyl-C3-C6alkynyl, C1-C6haloalkyl, C1-C6haloalkoxy, C2-C6haloalkenyl, or C2-C6haloalkenyloxy; R8 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl, C3-C6alkynyl, amino, C1-C6alkylcarbonylamino, C1-C6alkoxycarbonylamino or C3-C6cycloalkylcarbonylamino; R9 is hydrogen, halogen, C1-C6alkyl, C1-C6alkoxy, C2-C6alkenyl, C3-C6alkynyl, C3-C6cycloalkyl-C3-C6alkynyl, halophenoxy, halophenyl, C1-C6haloalkyl, C1-C6haloalkoxy, C2-C6haloalkenyl, or C2-C6haloalkenyloxy; R10 is hydrogen, halogen, C1-C4alkyl, C1-C6alkoxy, C2-C6alkenyl or C3-C6alkynyl; X is CH2, O or S; n is 0, 1 or 2; and agronomically acceptable salts/isomers/structural isomers/stereoisomers/diastereoisomers/enantiomers/tautomers and N-oxides of those compounds, are suitable for use as microbiocides.

  化学式为(I)的化合物，其中R1为C1-C4烷基、C1-C4卤代烷基或C1-C4烷氧基；R2为C1-C4烷基；R3为氢或卤素；R4为氢、C1-C4烷基或C1-C4卤代烷基；R5为氢、卤素或C1-C4烷基；R6为氢、卤素、C1-C4烷基、C2-C6烯基或C3-C6炔基；R7为氢、卤素、C1-C6烷基、C2-C6烯基、C3-C6炔基、C3-C6环烷基-C3-C6炔基、C1-C6卤代烷基、C1-C6卤代烷氧基、C2-C6卤代烯基或C2-C6卤代烯氧基；R8为氢、卤素、C1-C4烷基、C2-C6烯基、C3-C6炔基、氨基、C1-C6烷基羰基氨基、C1-C6烷氧羰基氨基或C3-C6环烷基羰基氨基；R9为氢、卤素、C1-C6烷基、C1-C6烷氧基、C2-C6烯基、C3-C6炔基、C3-C6环烷基-C3-C6炔基、卤代苯氧基、卤代苯基、C1-C6卤代烷基、C1-C6卤代烷氧基、C2-C6卤代烯基或C2-C6卤代烯氧基；R10为氢、卤素、C1-C4烷基、C1-C6烷氧基、C2-C6烯基或C3-C6炔基；X为CH2、O或S；n为0、1或2；以及这些化合物的农业上可接受的盐/异构体/构象异构体/立体异构体/对映异构体/互变异构体和N-氧化物，适用于作为微生物杀菌剂。
• Pyrazol-4-yl carboxamide derivatives as microbiocides
  申请人：Stierli Daniel

  公开号：US08653003B2

  公开（公告）日：2014-02-18

  Compounds of formula (I) wherein R1 is C1-C4alkyl, C1-C4haloalkyl or C1-C4alkoxy; R2 is C1-C4alkyl; R3 is hydrogen or halogen; R4 is hydrogen, C1-C4alkyl or C1-C4halogenalkyl; R5 is hydrogen, halogen or C1-C4alkyl; R6 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl or C3-C6alkynyl; R7 is hydrogen, halogen, C1-C6alkyl, C2-C6alkenyl, C3-C6alkynyl, C3-C6cycloalkyl-C3-C6alkynyl, C1-C6haloalkyl, C1-C6haloalkoxy, C2-C6haloalkenyl, or C2-C6haloalkenyloxy; R5 is hydrogen, halogen, C1-C4alkyl, C2-C6alkenyl, C3-C6alkynyl, amino, C1-C6alkylcarbonylamino, C1-C6alkoxycarbonylamino or C3-C6cycloalkylcarbonylamino; R9 is hydrogen, halogen, C1-C6alkyl, C1-C6alkoxy, C2-C6alkenyl, C3-C6alkynyl, C3-C6cycloalkyl-C3-C6alkynyl, halophenoxy, halophenyl, C1-C6haloalkyl, C1-C6haloalkoxy, C2-C6haloalkenyl, or C2-C6haloalkenyloxy; R10 is hydrogen, halogen, C1-C4alkyl, C1-C6alkoxy, C2-C6alkenyl or C3-C6alkynyl; X is CH2, O or S; n is 0, 1 or 2; and agronomically acceptable salts/isomers/structural isomers/stereoisomers/diastereoisomers/enantiomers/tautomers and N-oxides of those compounds, are suitable for use as microbiocides.

  公式为（I）的化合物，其中R1是C1-C4烷基，C1-C4卤代烷基或C1-C4烷氧基；R2是C1-C4烷基；R3是氢或卤素；R4是氢，C1-C4烷基或C1-C4卤代烷基；R5是氢，卤素或C1-C4烷基；R6是氢，卤素，C1-C4烷基，C2-C6烯基或C3-C6炔基；R7是氢，卤素，C1-C6烷基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基；R5是氢，卤素，C1-C4烷基，C2-C6烯基，C3-C6炔基，氨基，C1-C6烷基羰基氨基，C1-C6烷氧基羰基氨基或C3-C6环烷基羰基氨基；R9是氢，卤素，C1-C6烷基，C1-C6烷氧基，C2-C6烯基，C3-C6炔基，C3-C6环烷基-C3-C6炔基，卤代苯氧基，卤代苯基，C1-C6卤代烷基，C1-C6卤代烷氧基，C2-C6卤代烯基或C2-C6卤代烯氧基；R10是氢，卤素，C1-C4烷基，C1-C6烷氧基，C2-C6烯基或C3-C6炔基；X是CH2，O或S；n为0、1或2；这些化合物的农业上可接受的盐/异构体/结构异构体/立体异构体/顺反异构体/互变异构体和N-氧化物，适用于用作微生物杀菌剂。
• US8653003B2
  申请人：——

  公开号：US8653003B2

  公开（公告）日：2014-02-18