4-(2-Fluorophenyl)-2-(2-trifluoromethylbenzoyl)-cyclohexane-1,3-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-Fluorophenyl)-2-(2-trifluoromethylbenzoyl)-cyclohexane-1,3-dione
• 英文别名: 4-(2-fluorophenyl)-2-[2-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
• 化学式: C₂₀H₁₄F₄O₃
• 分子量: 378.323
• InChiKey: FKADJAJCBJBKGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-三氟甲基苯甲酰氯 、 4-(2-fluorophenyl)-1,3-cyclohexanedione 生成 4-(2-Fluorophenyl)-2-(2-trifluoromethylbenzoyl)-cyclohexane-1,3-dione
  参考文献：
  名称：

  LEE, DAVID L.

  摘要：

  DOI：

文献信息

• 2-(Substituted benzoyl)-4-(substituted or unsubstituted
  申请人：Stauffer Chemical Company

  公开号：US04795488A1

  公开（公告）日：1989-01-03

  Compounds of the formula ##STR1## wherein R is halogen; C.sub.1 -C.sub.2 alkyl; C.sub.1 -C.sub.2 alkoxy; trifluoromethoxy or difluoromethoxy; nitro; cyano; C.sub.1 -C.sub.2 haloalkyl; R.sup.a SO.sub.n --wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl, trifluoromethyl or difluoromethyl; R.sup.1 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.2 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.1 and R.sup.2 together are C.sub.2 -C.sub.5 alkylene; R.sup.3 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.4 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.3 and R.sup.4 together are C.sub.2 -C.sub.5 alkylene; R.sup.5, R.sup.6, R.sup.7 and R.sup.8 independently are (1) hydrogen; (2) halogen; (3) C.sub.1 -C.sub.4 alkyl; (4) C.sub.1 -C.sub.4 alkoxy; (5) trifluoromethoxy; (6) cyano; (7) nitro; (8) C.sub.1 -C.sub.4 haloalkyl; (9) R.sup.b SO.sub.n -- wherein n is the integer 0, 1 or 2; and R.sup.b is (a) C.sub.1 -C.sub.4 alkyl; (b) C.sub.1 -C.sub.4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) --NR.sup.c R.sup.d wherein R.sup.c and R.sup.d independently are hydrogen or C.sub.1 -C.sub.4 alkyl; (11) R.sup.e C(O)-- wherein R.sup.e is C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy; or (12) --SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; and (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined; and R.sup.9 is hydrogen or C.sub.1 -C.sub.4 alkyl, and their salts.

  式为##STR1##的化合物，其中R是卤素；C.sub.1 -C.sub.2烷基；C.sub.1 -C.sub.2氧烷基；三氟甲氧基或二氟甲氧基；硝基；氰基；C.sub.1 -C.sub.2卤代烷基；R.sup.a SO.sub.n --其中n为0或2，R.sup.a为C.sub.1 -C.sub.2烷基，三氟甲基或二氟甲基；R.sup.1为氢或C.sub.1 -C.sub.4烷基；R.sup.2为氢或C.sub.1 -C.sub.4烷基；或R.sup.1和R.sup.2一起为C.sub.2 -C.sub.5亚烷基；R.sup.3为氢或C.sub.1 -C.sub.4烷基；R.sup.4为氢或C.sub.1 -C.sub.4烷基；或R.sup.3和R.sup.4一起为C.sub.2 -C.sub.5亚烷基；R.sup.5、R.sup.6、R.sup.7和R.sup.8独立地为(1)氢；(2)卤素；(3)C.sub.1 -C.sub.4烷基；(4)C.sub.1 -C.sub.4氧烷基；(5)三氟甲氧基；(6)氰基；(7)硝基；(8)C.sub.1 -C.sub.4卤代烷基；(9)R.sup.b SO.sub.n --其中n为整数0、1或2；R.sup.b为(a)C.sub.1 -C.sub.4烷基；(b)用卤素或氰基取代的C.sub.1 -C.sub.4烷基；(c)苯基；或(d)苄基；(10)--NR.sup.c R.sup.d其中R.sup.c和R.sup.d独立地为氢或C.sub.1 -C.sub.4烷基；(11)R.sup.e C(O)--其中R.sup.e为C.sub.1 -C.sub.4烷基或C.sub.1 -C.sub.4氧烷基；或(12)--SO.sub.2 NR.sup.c R.sup.d其中R.sup.c和R.sup.d如定义；和(13)--N(R.sup.c)C(O)R.sup.d其中R.sup.c和R.sup.d如定义；和R.sup.9为氢或C.sub.1 -C.sub.4烷基，及其盐。
• Ester intermediates for 2-benzoyl-4-phenyl-1,3-cyclohexanediones
  申请人：Stauffer Chemical Company

  公开号：US04855477A1

  公开（公告）日：1989-08-08

  Compounds of the formula ##STR1## wherein R is halogen; C.sub.1 -C.sub.2 alkyl; C.sub.1 -C.sub.2 alkoxy; trifluoromethoxy or difluoromethoxy; nitro; cyano; C.sub.1 -C.sub.2 haloalkyl; R.sup.a SO.sub.n --wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl, trifluoromethyl or difluoromethyl; R.sup.1 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.2 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.1 and R.sup.2 together are C.sub.2 -C.sub.5 alkylene; R.sup.3 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.4 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.3 and R.sup.4 together are C.sub.2 -C.sub.5 alkylene; R.sup.5, R.sup.6, R.sup.7 and R.sup.8 independently are (1) hydrogen; (2) halogen; (3) C.sub.1 -C.sub.4 alkyl; (4) C.sub.1 -C.sub.4 alkoxy; (5) trifluoromethoxy; (6) cyano; (7) nitro; (8) C.sub.1 -C.sub.4 haloalkyl; (9) R.sup.b SO.sub.n --wherein n is the integer 0, 1 or 2; and R.sup.b is (a) C.sub.1 -C.sub.4 alkyl; (b) C.sub.1 -C.sub.4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) --NR.sup.c R.sup.d wherein R.sup.c and R.sup.d independently are hydrogen or C.sub.1 -C.sub.4 alkyl; (11) R.sup.e C(O)--wherein R.sup.e is C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy; or (12) --SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; and (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined; and R.sup.9 is hydrogen or C.sub.1 -C.sub.4 alkyl, and their salts.

  化合物的公式为##STR1## 其中R是卤素；C.sub.1-C.sub.2烷基；C.sub.1-C.sub.2烷氧基；三氟甲氧基或二氟甲氧基；硝基；氰基；C.sub.1-C.sub.2卤代烷基；R.sup.a SO.sub.n -其中n为0或2，R.sup.a为C.sub.1-C.sub.2烷基，三氟甲基或二氟甲基；R.sup.1为氢或C.sub.1-C.sub.4烷基；R.sup.2为氢或C.sub.1-C.sub.4烷基；或R.sup.1和R.sup.2一起为C.sub.2-C.sub.5亚基；R.sup.3为氢或C.sub.1-C.sub.4烷基；R.sup.4为氢或C.sub.1-C.sub.4烷基；或R.sup.3和R.sup.4一起为C.sub.2-C.sub.5亚基；R.sup.5，R.sup.6，R.sup.7和R.sup.8分别独立地为（1）氢；（2）卤素；（3）C.sub.1-C.sub.4烷基；（4）C.sub.1-C.sub.4烷氧基；（5）三氟甲氧基；（6）氰基；（7）硝基；（8）C.sub.1-C.sub.4卤代烷基；（9）R.sup.b SO.sub.n -其中n为整数0、1或2；R.sup.b为（a）C.sub.1-C.sub.4烷基；（b）卤素或氰基取代的C.sub.1-C.sub.4烷基；（c）苯基；或（d）苄基；（10）-NR.sup.c R.sup.d，其中R.sup.c和R.sup.d分别独立地为氢或C.sub.1-C.sub.4烷基；（11）R.sup.e C（O）-其中R.sup.e为C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基；或（12）-SO.sub.2 NR.sup.c R.sup.d其中R.sup.c和R.sup.d如上所定义；和（13）-N（R.sup.c）C（O）R.sup.d其中R.sup.c和R.sup.d如上所定义；R.sup.9为氢或C.sub.1-C.sub.4烷基，以及它们的盐。
• LEE, DAVID L.
  作者：LEE, DAVID L.

  DOI：——

  日期：——
• US4795488A
  申请人：——

  公开号：US4795488A

  公开（公告）日：1989-01-03
• US4855477A
  申请人：——

  公开号：US4855477A

  公开（公告）日：1989-08-08