3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl) cyclohex-2-enone | 114911-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl) cyclohex-2-enone
• 英文别名: 3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl)-cyclohex-2-enone；3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl)cyclohex-2-enone；3-Chloro-2-[2-chloro-4-(methanesulfonyl)benzoyl]cyclohex-2-en-1-one；3-chloro-2-(2-chloro-4-methylsulfonylbenzoyl)cyclohex-2-en-1-one
• CAS: 114911-84-1
• 化学式: C₁₄H₁₂Cl₂O₄S
• 分子量: 347.219
• InChiKey: ULCSOCRYEGYOKN-UHFFFAOYSA-N

物化性质

• 沸点：
  563.9±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl) cyclohex-2-enone 、 N-甲基-N-甲氧基胺盐酸盐 生成 2-(2-chloro-4-methylsulfonylbenzoyl)-3-[methoxy(methyl)amino]cyclohex-2-en-1-one
  参考文献：
  名称：

  KNUDSEN, CHRISTOPHER G.

  摘要：

  DOI：
• 作为产物：
  描述：

  磺草酮 生成 3-Chloro-2-(2-chloro-4-methanesulfonylbenzoyl) cyclohex-2-enone
  参考文献：
  名称：

  KNUDSEN, CHRISTOPHER G.

  摘要：

  DOI：

文献信息

• Certain substituted 3-amino-2-benzoylcyclohex-2-enones
  申请人：Stauffer Chemica Company

  公开号：US04775411A1

  公开（公告）日：1988-10-04

  A compound of the formula ##STR1## wherein R is halogen, C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.2 alkoxy, nitro; cyano; C.sub.1 -C.sub.2 haloalkyl, or R.sup.a SO.sub.n - wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; 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 alkylene having 2 to 5 carbon atoms; 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 C.sup.3 and R.sup.4 are oxo; R.sup.5 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.6 is hydrogen or C.sub.1 -C.sub.4 alkyl; and 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 alkogxy; (12) SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; or (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined; R.sup.9 is hydrogen or C.sub.1 -C.sub.4 alkyl, R.sup.10 is (a) hydrogen; (b) C.sub.1 -C.sub.6 alkyl, (c) C.sub.4 -C.sub.6 cycloalkyl, (d) substituted C.sub.1 -C.sub.6 alkyl, (e) phenyl; (f) substituted phenyl; (g) C.sub.1 -C.sub.6 alkoxy; (h) benzyl; (i) phenethyl; (j) C.sub.1 -C.sub.4 alkyl-C(O)-; (k) C.sub.1 -C.sub.4 alkyoxy-C(O)-; (1) C.sub.2 -C.sub.6 alkenyl; or (m) C.sub.2 -C.sub.6 alkynyl; and R.sup.9 and R.sup.10 together form a heterocyclic ring with the nitrogen to which they are attached containing 0, 1 or 2 additional hetero atoms (nitrogen, sulfur or oxygen).

  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烷氧基，硝基；氰基；C.sub.1 -C.sub.2卤代烷基，或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；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.2一起是具有2至5个碳原子的烷基烯；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C.sup.3和R.sup.4为氧代；R.sup.5为氢或C.sub.1 -C.sub.4烷基；R.sup.6为氢或C.sub.1 -C.sub.4烷基；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；(12)SO.sub.2 NR.sup.c R.sup.d其中R.sup.c和R.sup.d如定义；或(13)--N(R.sup.c)C(O)R.sup.d其中R.sup.c和R.sup.d如定义；R.sup.9为氢或C.sub.1 -C.sub.4烷基，R.sup.10为(a)氢；(b)C.sub.1 -C.sub.6烷基，(c)C.sub.4 -C.sub.6环烷基，(d)取代的C.sub.1 -C.sub.6烷基，(e)苯基；(f)取代的苯基；(g)C.sub.1 -C.sub.6烷氧基；(h)苄基；(i)苯乙基；(j)C.sub.1 -C.sub.4烷基-C(O)-；(k)C.sub.1 -C.sub.4烷氧基-C(O)-；(1)C.sub.2 -C.sub.6烯基；或(m)C.sub.2 -C.sub.6炔基；且R.sup.9和R.sup.10一起与它们连接的氮形成含有0, 1或2个额外杂原子（氮、硫或氧）的杂环。
• Certain substituted bis(2-benzoyl-3-oxo-cyclohexenyl)diamines
  申请人：Imperial Chemical Industries Plc

  公开号：US05173105A1

  公开（公告）日：1992-12-22

  An herbicide compound of the formula ##STR1## wherein R is halogen, C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.2 alkoxy, nitro; cyano; C.sub.1 -C.sub.2 haloalkyl, or R.sup.a SO.sub.n -- wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; 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 alkylene having 2 to 5 carbon atoms; 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 oxo; R.sup.5 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.6 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.5 and R.sup.6 together are alkylene having 2 to 5 carbon atoms; 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; (12) SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined; or (14) --CH.sub.2 CH.sub.2 OCH.sub.3 or --CH.sub.2 CH.sub.2 OC.sub.2 H.sub.5 ; with the proviso that R.sup.7 is not at the 6-position; and R.sup.9 is hydrogen or C.sub.1 -C.sub.4 alkyl; and R.sup.10 is C.sub.2 -C.sub.6 alkylene, C.sub.4 -C.sub.8 alkenylene or C.sub.4 -C.sub.8 alkynylene.

  这是一种除草剂化合物的公式，其中R是卤素、C.sub.1-C.sub.2烷基、C.sub.1-C.sub.2烷氧基、硝基、氰基、C.sub.1-C.sub.2卤代烷基或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；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.2一起是具有2到5个碳原子的烷基；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.4一起为氧代；R.sup.5为氢或C.sub.1-C.sub.4烷基；R.sup.6为氢或C.sub.1-C.sub.4烷基；或R.sup.5和R.sup.6一起是具有2到5个碳原子的烷基；R.sup.7和R.sup.8分别为（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；（12）SO.sub.2 NR.sup.c R.sup.d，其中R.sup.c和R.sup.d如定义；（13）-N（R.sup.c）C（O）R.sup.d，其中R.sup.c和R.sup.d如定义；或（14）-CH.sub.2 CH.sub.2 OCH.sub.3或-CH.sub.2 CH.sub.2 OC.sub.2 H.sub.5；但是，R.sup.7不在6位，R.sup.9为氢或C.sub.1-C.sub.4烷基，R.sup.10为C.sub.2-C.sub.6烷基、C.sub.4-C.sub.8烯基或C.sub.4-C.sub.8炔基。
• 3-chloro-2-(2'-substituted benzoyl)-cyclohex-2-enone intermediate
  申请人：Stauffer Chemical Company

  公开号：US04837352A1

  公开（公告）日：1989-06-06

  An intermediate compound having the structural formula ##STR1## wherein R is halogen, C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.2 alkoxy, nitro; cyano; C.sub.1 -C.sub.2 haloalkyl, or R.sup.a SO.sub.n - wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; 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 alkylene having 2 to 5 carbon atoms; 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 can be oxo; R.sup.5 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.6 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.5 and R.sup.6 together are alkylene having 2 to 5 carbon atoms; 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; (12) SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; or (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined.

  一种中间化合物，其结构式为##STR1##其中R为卤素，C.sub.1-C.sub.2烷基，C.sub.1-C.sub.2烷氧基，硝基，氰基，C.sub.1-C.sub.2卤代烷基或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；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.2一起为具有2到5个碳原子的亚烷基；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.4一起可以是氧代基；R.sup.5为氢或C.sub.1-C.sub.4烷基；R.sup.6为氢或C.sub.1-C.sub.4烷基；或R.sup.5和R.sup.6一起为具有2到5个碳原子的亚烷基；R.sup.7和R.sup.8独立地是(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是整数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烷氧基；(12)SO.sub.2 NR.sup.c R.sup.d，其中R.sup.c和R.sup.d如上定义；或(13)--N(R.sup.c)C(O)R.sup.d，其中R.sup.c和R.sup.d如上定义。
• Method of controlling undesirable vegetation utilizing certain
  申请人：Stauffer Chemical Company

  公开号：US04854966A1

  公开（公告）日：1989-08-08

  A compound of the formula ##STR1## wherein R is halogen, C.sub.1 -C.sub.2 alkyl, C.sub.1 -C.sub.2 alkoxy, nitro; cyano; C.sub.1 -C.sub.2 haloalkyl, or R.sup.a SO.sub.n - wherein n is 0 or 2 and R.sup.a is C.sub.1 -C.sub.2 alkyl; 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 alkylene having 2 to 5 carbon atoms; 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 can be oxo; R.sup.5 is hydrogen or C.sub.1 -C.sub.4 alkyl; R.sup.6 is hydrogen or C.sub.1 -C.sub.4 alkyl; or R.sup.5 and R.sup.6 together are alkylene having 2 to 5 carbon atoms; and 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; (12) SO.sub.2 NR.sup.c R.sup.d wherein R.sup.c and R.sup.d are as defined; or (13) --N(R.sup.c)C(O)R.sup.d wherein R.sup.c and R.sup.d are as defined; m is the integer 0, 1 or 2; and R.sup.9 is C.sub.1 -C.sub.4 alkyl, phenyl, cyano, substituted phenyl, or --(CH.sub.2).sub.x --C(O)O--(C.sub.1 -C.sub.4 alkyl) wherein X is the integer 1, 2 or 3.

  该化合物的化学式为##STR1##其中R为卤素，C.sub.1-C.sub.2烷基，C.sub.1-C.sub.2烷氧基，硝基，氰基，C.sub.1-C.sub.2卤代烷基，或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；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.2一起是具有2到5个碳原子的亚烷基；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可以是氧代基；R.sup.5为氢或C.sub.1-C.sub.4烷基；R.sup.6为氢或C.sub.1-C.sub.4烷基；或R.sup.5和R.sup.6一起是具有2到5个碳原子的亚烷基；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）取代卤素或氰基的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烷氧基；（12）SO.sub.2 NR.sup.c R.sup.d其中R.sup.c和R.sup.d如定义；或（13）--N（R.sup.c）C（O）R.sup.d其中R.sup.c和R.sup.d如定义；m为整数0、1或2；R.sup.9为C.sub.1-C.sub.4烷基、苯基、氰基、取代苯基或--（CH.sub.2）.sub.x --C（O）O--（C.sub.1-C.sub.4烷基）其中X为整数1、2或3。
• Certain 3-(substituted thio)-2-benzoyl-cyclohex-2-enones
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0249150B1

  公开（公告）日：1991-05-29