5-heptafluoroisopropylindoline | 273735-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-heptafluoroisopropylindoline
• 英文别名: 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dihydro-1H-indole
• CAS: 273735-78-7
• 化学式: C₁₁H₈F₇N
• 分子量: 287.18
• InChiKey: QIRDSKZNAOJVIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Perfluoroalkylated aniline compound and process for producing the same
  申请人：——

  公开号：US20020198399A1

  公开（公告）日：2002-12-26

  The present invention provides an aniline derivative represented by the formula (I) 1 wherein R 1 and R 2 are each H, (C 1-12 )alkyl, (C 3-8 )cycloalkyl, hydroxy(C 1-12 )alkyl, hydroxycarbonyl (C 1-12 )alkyl, (C 1-6 )-alkoxycarbonyl(C 1-6 )alkyl, —COR 8 , wherein R 8 is H, halo-(C 1-12 )alkyl, (C 3-8 )cycloalkyl or (substituted) phenyl, COOR 9 , wherein R 9 is a halo(C 1-6 )alkyl group, (substituted) phenyl or (substituted) benzyl; R 3 , R 4 , R 5 , R 6 and R 7 are each H, halogen, OH, nitro, halo(C 1-12 )alkylthio, (substituted)amino-(C 1-2 )alkyl, (substituted) phenyl, (substituted) benzyl, amino, —N(R 10 )R 11 wherein R 10 and R 11 are each H, alkyl, cycloalkyl, (substituted) phenyl, (substituted) benzyl, —COR 8 or COOR 9 , or (C 2-27 )perfluoroalkyl, etc., and a process for producing the aniline derivative. According to the process of the present invention, perfluoroalkylaniline derivatives can be obtained by using various anilines as the substrate with a high position selectivity and high yield.

  本发明提供了一种由公式(I)表示的苯胺衍生物： 1 其中R 1 和R 2 各自是H，(C 1-12 )烷基，(C 3-8 )环烷基，羟基(C 1-12 )烷基，羟甲氧基(C 1-12 )烷基，(C 1-6 )-烷氧甲氧基(C 1-6 )烷基，—COR 8 ，其中R 8 是H，卤代-(C 1-12 )烷基，(C 3-8 )环烷基或(取代)苯基，COOR 9 ，其中R 9 是卤代(C 1-6 )烷基，(取代)苯基或(取代)苄基；R 3 ，R 4 ，R 5 ，R 6 和R 7 各自是H，卤素，OH，硝基，卤代-(C 1-12 )烷基硫，(取代)氨基-(C 1-2 )烷基，(取代)苯基，(取代)苄基，氨基，—N(R 10 )R 11 ，其中R 10 和R 11 各自是H，烷基，环烷基，(取代)苯基，(取代)苄基，—COR 8 或COOR 9 ，或(C 2-27 )全氟烷基等，以及一种用于生产该苯胺衍生物的过程。根据本发明的过程，可以通过使用各种苯胺作为底物，以高位置选择性和高收率获得全氟烷基苯胺衍生物。
• Aniline derivative and process for producing the same
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP1006102A2

  公开（公告）日：2000-06-07

  The present invention provides an aniline derivative represented by the formula (I) wherein R1 and R2 are each H, (C1-12)alkyl, (C3-8)cycloalkyl, hydroxy(C1-12)alkyl, hydroxycarbonyl (C1-12)alkyl, (C1-6)alkoxycarbonyl(C1-6)alkyl, -COR8, wherein R8 is H, halo(C1-12)alkyl, (C3-8)cycloalkyl or (substituted) phenyl, COOR9, wherein R9 is a halo(C1-6)alkyl group, (substituted) phenyl or (substituted) benzyl; R3, R4, R5, R6 and R7 are each H, halogen, OH, nitro, halo(C1-12)alkylthio, (substituted) amino(C1-2)alkyl, (substituted) phenyl, (substituted) benzyl, amino, -N(R10)R11 wherein R10 and R11 are each H, alkyl, cycloalkyl, (substituted) phenyl, (substituted) benzyl, -COR8 or COOR9, or (C2-27)perfluoroalkyl, etc., and a process for producing the aniline derivative. According to the process of the present invention, perfluoroalkylaniline derivatives can be obtained by using various anilines as the substrate with a high position selectivity and high yield.

  本发明提供了一种由式（I）表示的苯胺衍生物 其中 R1 和 R2 各自为 H、(C1-12)烷基、(C3-8)环烷基、羟基(C1-12)烷基、羟基羰基(C1-12)烷基、(C1-6)烷氧基羰基(C1-6)烷基、-COR8，其中 R8 为 H、卤代(C1-12)烷基、(C3-8)环烷基或(取代)苯基、COOR9，其中 R9 为卤代(C1-6)烷基、(取代)苯基或(取代)苄基；R3、R4、R5、R6 和 R7 分别是 H、卤素、OH、硝基、卤代(C1-12)烷硫基、(取代的)氨基(C1-2)烷基、(取代的)苯基、(取代的)苄基、氨基、-N(R10)R11，其中 R10 和 R11 分别是 H、烷基、环烷基、(取代的)苯基、(取代的)苄基、-COR8 或 COOR9 或(C2-27)全氟烷基等。,以及生产苯胺衍生物的工艺。根据本发明的工艺，以各种苯胺为底物，可以获得位置选择性高、产率高的全氟烷基苯胺衍生物。
• Perfluoroalkylaniline derivatives
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP1380568A2

  公开（公告）日：2004-01-14

  The present invention provides an aniline derivative represented by the formula (I) wherein R1 and R2 are each H, (C1-12)alkyl, (C3-8)cycloalkyl, hydroxy (C1-12)alkyl , hydroxycarbonyl (C1-12)alkyl, (C1-6)-alkoxycarbonyl(C1-6)alkyl, -COR8, wherein R8 is H, halo-(C1-12)alkyl, (C3-8)cycloalkyl or (substituted) phenyl, COOR9, wherein R9 is a halo(C1-6)alkyl group, (substituted) phenyl or (substituted) benzyl; R3, R4, R5, R6 and R7 are eachH, halogen, OH, nitro, halo(C1-12)alkylthio, (substituted) amino-(C1-2)alkyl, (substituted) phenyl, (substituted) benzyl, amino, -N(R10)R11 wherein R10 and R11 are each H, alkyl, cycloalkyl, (substituted) phenyl, (substituted) benzyl, -COR8 or COOR9, or (C2-27)perfluoroalkyl, etc., and a process for producing the aniline derivative. According to the process of the present invention, perfluoroalkylaniline derivatives can be obtained by using various anilines as the substrate with a high position selectivity and high yield.

  本发明提供了一种由式（I）表示的苯胺衍生物 其中 R1 和 R2 各自为 H、(C1-12)烷基、(C3-8)环烷基、羟基 (C1-12)烷基、羟基羰基 (C1-12)烷基、(C1-6)-烷氧基羰基 (C1-6)烷基、-COR8，其中 R8 为 H、卤代(C1-12)烷基、(C3-8)环烷基或 (取代) 苯基、COOR9，其中 R9 为卤代(C1-6)烷基、(取代) 苯基或 (取代) 苄基；R3、R4、R5、R6 和 R7 分别是H、卤素、OH、硝基、卤代(C1-12)烷硫基、（取代的）氨基-(C1-2)烷基、（取代的）苯基、（取代的）苄基、氨基、-N(R10)R11，其中 R10 和 R11 分别是 H、烷基、环烷基、（取代的）苯基、（取代的）苄基、-COR8 或 COOR9 或 (C2-27)perfluoroalkyl 等。,以及生产苯胺衍生物的工艺。根据本发明的工艺，以各种苯胺为底物，可以获得位置选择性高、产率高的全氟烷基苯胺衍生物。
• Process for the production of perfluoroalkylated aniline derivatives
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP1006102B1

  公开（公告）日：2006-08-30
• US6600074B2
  申请人：——

  公开号：US6600074B2

  公开（公告）日：2003-07-29