N-(6-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-O-methylhydroxylamine | 1384839-13-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: N-(6-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-O-methylhydroxylamine
• 英文别名: N-(6-fluoro-6,7,8,9-tetrahydro-5-H-benzocyclohepten-5-yl)-O-methyl-hydroxylamine；6-fluoro-N-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
• CAS: 1384839-13-7
• 化学式: C₁₂H₁₆FNO
• 分子量: 209.264
• InChiKey: HTPIEZHQVPFIPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(二氟甲基)-1-甲基-1H-吡唑-4-羰酰氯 、 N-(6-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-O-methylhydroxylamine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (6-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-methoxyamide
  参考文献：
  名称：

  [EN] PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES
  [FR] DÉRIVÉS DE PYRAZOL-4-YLCARBOXAMIDE EN TANT QUE MICROBIOCIDES

  摘要：

  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。

  公开号：

  WO2012093100A1
• 作为产物：
  描述：

  2-fluoro-1-benzosuberone 在 吡啶 、 sodium cyanoborohydride 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 16.0h， 生成 N-(6-fluoro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-O-methylhydroxylamine
  参考文献：
  名称：

  [EN] PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES
  [FR] DÉRIVÉS DE PYRAZOL-4-YLCARBOXAMIDE EN TANT QUE MICROBIOCIDES

  摘要：

  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。

  公开号：

  WO2012093100A1

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
• PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES
  申请人：Stierli Daniel

  公开号：US20130281505A1

  公开（公告）日：2013-10-24

  Compounds of formula (I) wherein R 1 is C 1 -C 4 alkyl, C 1 -C 4 haloalkyl or C 1 -C 4 alkoxy; R 2 is C 1 -C 4 alkyl; R 3 is hydrogen or halogen; R 4 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 halogenalkyl; R 5 is hydrogen, halogen or C 1 -C 4 alkyl; R 6 is hydrogen, halogen, C 1 -C 4 alkyl, C 2 -C 6 alkenyl or C 3 -C 6 alkynyl; R 7 is hydrogen, halogen, C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 3 -C 6 alkynyl, C 3 -C 6 cycloalkyl-C 3 -C 6 alkynyl, C 1 -C 6 haloalkyl, C 1 -C 6 haloalkoxy, C 2 -C 6 haloalkenyl, or C 2 -C 6 haloalkenyloxy; R 5 is hydrogen, halogen, C 1 -C 4 alkyl, C 2 -C 6 alkenyl, C 3 -C 6 alkynyl, amino, C 1 -C 6 alkylcarbonylamino, C 1 -C 6 alkoxycarbonylamino or C 3 -C 6 cycloalkylcarbonylamino; R 9 is hydrogen, halogen, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, C 2 -C 6 alkenyl, C 3 -C 6 alkynyl, C 3 -C 6 cycloalkyl-C 3 -C 6 alkynyl, halophenoxy, halophenyl, C 1 -C 6 haloalkyl, C 1 -C 6 haloalkoxy, C 2 -C 6 haloalkenyl, or C 2 -C 6 haloalkenyloxy; R 10 is hydrogen, halogen, C 1 -C 4 alkyl, C 1 -C 6 alkoxy, C 2 -C 6 alkenyl or C 3 -C 6 alkynyl; X is CH 2 , 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.

  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。