4-(2'-Nitro-4'-chlorobenzoyl)-2,2-dimethyl-2H-pyran-3,5-(4H,6H)-dione | 115582-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2'-Nitro-4'-chlorobenzoyl)-2,2-dimethyl-2H-pyran-3,5-(4H,6H)-dione
• 英文别名: 4-(4-chloro-2-nitrobenzoyl)-2,2-dimethyloxane-3,5-dione
• CAS: 115582-02-0
• 化学式: C₁₄H₁₂ClNO₆
• 分子量: 325.705
• InChiKey: ZGTHVDMHVDMHGE-UHFFFAOYSA-N

物化性质

• 沸点：
  529.8±50.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2-dimethyl-2H-pyran-3,5(4H,6H)-dione 、 4-氯-2-硝基苯甲酰氯 生成 4-(2'-Nitro-4'-chlorobenzoyl)-2,2-dimethyl-2H-pyran-3,5-(4H,6H)-dione
  参考文献：
  名称：

  CARTER, CHARLES G.;CURTIS, JEFF K.

  摘要：

  DOI：

文献信息

• Substituted 4-benzoyl-3,5-dioxotetrahydropyrans and thiopyrans useful as
  申请人：Stauffer Chemical Company

  公开号：US04728745A1

  公开（公告）日：1988-03-01

  Compounds of the formula ##STR1## wherein X is oxygen, sulfur or sulfonyl; 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.m -- wherein m 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 alkylene having 2 to 5 carbon atoms; R.sup.5 and R.sup.6 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 their salts are useful as herbicides.

  该化合物的分子式为##STR1## 其中X为氧、硫或磺酰基；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.m--，其中m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至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.4一起为具有2至5个碳原子的烷基；R.sup.5和R.sup.6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；或(12)--SO.sub.2 NR.sup.c R.sup.d，其中R.sup.c和R.sup.d如定义；以及(13)--N(R.sup.c)C(O)R.sup.d，其中R.sup.c和R.sup.d如定义，它们的盐对除草剂有用。
• Intermediates for substituted 4-benzoyl-3,5-dioxotetrahydropyrans and
  申请人：Stauffer Chemical Company

  公开号：US04777272A1

  公开（公告）日：1988-10-11

  Compounds of the formula ##STR1## wherein X is oxygen, sulfur or sulfonyl; 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.m - wherein m 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 alkylene having 2 to 5 carbon atoms; R.sup.5 and R.sup.6 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 their salts are useful as herbicides.

  化合物的化学式为##STR1## 其中X为氧、硫或磺酰基；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.m-其中m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至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.4一起为具有2至5个碳原子的亚烷基；R.sup.5和R.sup.6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）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；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，它们的盐在除草剂中有用。
• Certain substituted 4-benzoyl-3,5-dioxotetrahydropyrans and thiopyrans
  申请人：Stauffer Chemical Company

  公开号：US04786309A1

  公开（公告）日：1988-11-22

  Compounds of the formula ##STR1## wherein X is oxygen, sulfur or sulfonyl; 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.m -- wherein m 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 alkylene having 2 to 5 carbon atoms; R.sup.5 and R.sup.6 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 their salts are useful as herbicides.

  该化合物的公式为##STR1##其中X为氧，硫或磺酰基; 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.m --其中m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.4一起是具有2到5个碳原子的烷基; R.sup.5和R.sup.6分别是(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)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; 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，它们的盐对除草剂有用。
• Certain substituted 4-bezoyl-3,5-dioxotetrahydropyrans and thiopyrans
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0255584B1

  公开（公告）日：1991-09-25
• US4728745A
  申请人：——

  公开号：US4728745A

  公开（公告）日：1988-03-01