(R)-2-[2-(2,5-difluorophenoxy)-1-methylethyl]-1H-isoindole-1,3(2H)-dione | 211501-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (R)-2-[2-(2,5-difluorophenoxy)-1-methylethyl]-1H-isoindole-1,3(2H)-dione
• 英文别名: 2-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]isoindole-1,3-dione
• CAS: 211501-32-5
• 化学式: C₁₇H₁₃F₂NO₃
• 分子量: 317.292
• InChiKey: ARHNUPXQSKFMHC-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-2-[2-(2,5-difluorophenoxy)-1-methylethyl]-1H-isoindole-1,3(2H)-dione 在 三乙胺 、 肼 作用下， 生成 (S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
  参考文献：
  名称：

  Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides

  摘要：

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00246-2
• 作为产物：
  描述：

  2,5-二氟苯酚 、 (R)-(-)-2-酞酰亚胺基-1-丙醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 生成 (R)-2-[2-(2,5-difluorophenoxy)-1-methylethyl]-1H-isoindole-1,3(2H)-dione
  参考文献：
  名称：

  Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides

  摘要：

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00246-2

文献信息

• Fungicidal carboxamides
  申请人：Board of Trustees of the University of Arkansas

  公开号：US06251947B1

  公开（公告）日：2001-06-26

  Compounds of Formula (I) are disclosed which are useful as fungicides, wherein Q is: (Q−1) or (Q−2), Z is (Z−1); (Z−2); (Z−3) or (Z−4); X is —O—, —CH(R11)— or ═C(R11)—; R1 is H or C1-C2 alkyl; R2 is H; C1-C6 alkyl; C3-C6 cycloalkyl; or phenyl optionally substituted with halogen, cyano, C1-C2 alkyl or C1-C2 alkoxy; and R3-R11 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula (I) and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula (I).

  公式（I）的化合物被披露，可用作杀菌剂，其中Q是：（Q−1）或（Q−2），Z是（Z−1）；（Z−2）；（Z−3）或（Z−4）；X是—O—，—CH（R11）—或═C（R11）—；R1是H或C1-C2烷基；R2是H；C1-C6烷基；C3-C6环烷基；或苯基，可选择地取代卤素、氰基、C1-C2烷基或C1-C2烷氧基；R3-R11如披露中定义。还披露了含有公式（I）化合物的组合物以及一种控制由真菌植物病原体引起的植物病害的方法，其中涉及施用公式（I）化合物的有效量。
• Fungicidal amides
  申请人：The Board of Trustees of the University of Arkansas

  公开号：US06504058B1

  公开（公告）日：2003-01-07

  Compounds of Formula I are disclosed which are useful as fungicides wherein R1 is hydrogen; halogen; C1-C2 alkoxy; C1-C2 haloalkoxy; cyano; or C1-C2 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; R2 is hydrogen; halogen; or C1-C4 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; R3 is hydrogen; halogen; C1-C4 alkoxy; C1-C4 haloalkoxy; or C1-C4 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; or R2 and R3 can be taken together as —CH2CH2—; R4 is C1-C2 alkyl; R5 is R6, CH(R8)OR6, CH(R8)CH(R7)R6 or C(R8)═C(R7)R6; and R6, R7 and R8 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula I.

  公开了化学式I的化合物，其可用作杀菌剂，其中R1为氢; 卤素; C1-C2烷氧基; C1-C2卤代烷氧基; 腈; 或C1-C2烷基，可选择地取代卤素，C1-C2烷氧基或腈; R2为氢; 卤素; 或C1-C4烷基，可选择地取代卤素，C1-C2烷氧基或腈; R3为氢; 卤素; C1-C4烷氧基; C1-C4卤代烷氧基; 或C1-C4烷基，可选择地取代卤素，C1-C2烷氧基或腈; 或R2和R3可一起取为—CH2CH2—; R4为C1-C2烷基; R5为R6，CH（R8）OR6，CH（R8）CH（R7）R6或C（R8）═C（R7）R6; 而R6，R7和R8如定义所述。还公开了含有化学式I的化合物的组合物以及一种控制由真菌植物病原体引起的植物病害的方法，其中涉及施用化学式I的化合物的有效量。
• FUNGICIDAL CARBOXAMIDES
  申请人：Basarab Steven Gregory

  公开号：US20060178425A1

  公开（公告）日：2006-08-10

  Compounds of Formula I are disclosed which are useful as fungicides wherein X is —O—, —CH(R 11 )— or ═C(R 11 )—; R 1 is H or C 1 -C 2 alkyl; R 2 is H; C 1 -C 6 alkyl; C 3 -C 6 cycloalkyl; or phenyl optionally substituted with halogen, cyano, C 1 -C 2 alkyl or C 1 -C 2 alkoxy; and R 3 —R 11 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula I.

  本文披露了一些化合物的公式I，它们可用作杀真菌剂，其中X为—O—，—CH（R11）—或═C（R11）—；R1为H或C1-C2烷基；R2为H，C1-C6烷基，C3-C6环烷基或苯基，苯基可选地被卤素、氰基、C1-C2烷基或C1-C2甲氧基取代；R3-R11如本文所定义。还披露了含有公式I化合物的组合物以及一种控制由真菌植物病原体引起的植物病害的方法，该方法涉及施用公式I化合物的有效量。
• Fungicidally active carboxylic acid amides
  申请人：——

  公开号：US06683212B1

  公开（公告）日：2004-01-27

  Compounds of Formula (I) are disclosed which are useful as fungicides wherein R1 is hydrogen; halogen; C1-C2 alkoxy; C1-C2 haloalkoxy, cyano; or C1-C2 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; R2 is hydrogen; halogen; or C1-C4 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; R3 is hydrogen; halogen; C1-C4 alkoxy; C1-C4 haloalkoxy; or C1-C4 alkyl optionally substituted with halogen, C1-C2 alkoxy or cyano; or R2 and R3 can be taken together as —CH2CH2—; R4 is C1-C2 alkyl; R5 is R6, CH(R8)OR6, CH(R8)CH(R7)R6 or C(R8)═C(R7)R6; and R6, R7 and R8 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula (I) and a method for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound of Formula (I).

  公开了化学式（I）的化合物，其可用作杀菌剂，其中R1是氢; 卤素; C1-C2烷氧基; C1-C2卤代烷氧基，氰基; 或C1-C2烷基，可选地取代卤素，C1-C2烷氧基或氰基; R2是氢; 卤素; 或C1-C4烷基，可选地取代卤素，C1-C2烷氧基或氰基; R3是氢; 卤素; C1-C4烷氧基; C1-C4卤代烷氧基; 或C1-C4烷基，可选地取代卤素，C1-C2烷氧基或氰基; 或R2和R3可一起取为—CH2CH2—; R4是C1-C2烷基; R5是R6，CH（R8）OR6，CH（R8）CH（R7）R6或C（R8）═C（R7）R6; 而R6、R7和R8如所述。还公开了含有化学式（I）的化合物的组合物和一种用于控制由真菌植物病原体引起的植物病害的方法，其中涉及施用化学式（I）的有效量的化合物。
• US6251947B1
  申请人：——

  公开号：US6251947B1

  公开（公告）日：2001-06-26