3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonylisocyanate | 96865-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonylisocyanate
• 英文别名: 3-methyl-2,2-dioxo-N-(oxomethylidene)-1,2λ6-benzoxathiine-8-sulfonamide
• CAS: 96865-49-5
• 化学式: C₁₀H₇NO₆S₂
• 分子量: 301.301
• InChiKey: AIHJQVHLOMWSQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonyl)-N'-methylurea 以 氯苯 为溶剂， 生成 3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonylisocyanate
  参考文献：
  名称：

  US4589911

  摘要：

  公开号：

文献信息

• Fused N-phenylsulfonyl-N'-pyrimidinylureas
  申请人：Ciba-Geigy Corporation

  公开号：US04675046A1

  公开（公告）日：1987-06-23

  N-phenylsulfonyl-N'-pyrimidinylureas of the formula ##STR1## wherein Z is oxygen or sulfur, R.sup.1 is hydrogen, halogen, nitro, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, cyano, or a --X--R.sup.5, --CO--X--R.sup.6, --CO--NR.sup.7 R.sup.8, --SO--R.sup.9 or --SO.sub.2 --R.sup.10 group, R.sup.2 is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy, R.sup.3 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or C.sub.3 -C.sub.6 cycloalkyl, R.sup.4 is hydrogen, halogen, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.2 -C.sub.4 alkoxyalkoxy, C.sub.3 -C.sub.6 cycloalkyl or --NR.sup.11 R.sup.12, R.sup.5 is C.sub.3 -C.sub.5 alkynyl or C.sub.1 -C.sub.4 alkyl which is unsubstituted or substituted by halogen or C.sub.1 -C.sub.4 -alkoxy, or is C.sub.3 -C.sub.5 alkenyl, which is unsubstituted or is substituted by halogen or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 and R.sup.9 are each independently C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.7 and R.sup.8 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.10 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or --NR.sup.13 R.sup.14, R.sup.11 and R.sup.12 are each independently hydrogen or C.sub.1 -C.sub.4 alkyl, R.sup.13 and R.sup.14 are each independently hydrogen C.sub.1 -C.sub.4 alkyl C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, and X is oxygen or sulfur, or a salt thereof have good pre and post-emergence selective herbicidal and growth regulating properties.

  化学式为##STR1##的N-苯磺酰-N'-嘧啶基脲类化合物，其中Z为氧或硫，R1为氢、卤素、硝基、C1-C4烷基、C1-C4卤代烷基、氰基或--X--R5、--CO--X--R6、--CO--NR7R8、--SO--R9或--SO2--R10基团，R2为氢、C1-C4烷基或C1-C4烷氧基，R3为C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基或C3-C6环烷基，R4为氢、卤素、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基、C2-C4烷氧基烷氧基、C3-C6环烷基或--NR11R12，R5为C3-C5炔基或未取代或取代为卤素或C1-C4烷氧基的C1-C4烷基，或为未取代或取代为卤素或C1-C4烷氧基的C3-C5烯基，R6和R9各自独立地为C1-C4烷基、C1-C4卤代烷基、C2-C4烷氧基烷基、C3-C5烯基、C3-C5炔基、苯基或苄基，R7和R8各自独立地为氢、C1-C4烷基、C1-C4卤代烷基、C2-C4烷氧基烷基、C3-C5烯基、C3-C5炔基、苯基或苄基，R10为C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷氧基或--NR13R14，R11和R12各自独立地为氢或C1-C4烷基，R13和R14各自独立地为氢、C1-C4烷基、C1-C4卤代烷基、C2-C4烷氧基烷基、C3-C5烯基、C3-C5炔基、苯基或苄基，X为氧或硫，或其盐具有良好的前后除草和生长调节性能。
• Fused phenylsulfonamides
  申请人：Ciba-Geigy Corporation

  公开号：US04675417A1

  公开（公告）日：1987-06-23

  Fused N-phenylsulfonyl-N'-pyrimidinylureas and N-phenylsulfonyl-N'-triazinylureas of the general formula ##STR1## wherein Z is oxygen or sulfur, E is nitrogen or .dbd.CH--, R.sup.1 is hydrogen, halogen, nitro, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, cyano, or a --X--R.sup.5, --CO--X--R.sup.6, --CO--NR.sup.7 R.sup.8, --SO--R.sup.9 or --SO.sub.2 --R.sup.10 group, R.sup.2 is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy, R.sup.3 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or C.sub.3 -C.sub.6 cycloalkyl, R.sup.4 is hydrogen, halogen, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.2 -C.sub.4 alkoxyalkoxy, C.sub.3 -C.sub.6 cycloalkyl or --NR.sup.11 R.sup.12, R.sup.5 is C.sub.3 -C.sub.5 alkynyl or C.sub.1 -C.sub.4 alkyl which is unsubstituted or substituted by halogen or C.sub.1 -C.sub.4 alkoxy, or is C.sub.3 -C.sub.5 alkenyl, which is unsubstituted or is substituted by halogen or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 and R.sup.9 are each independently C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkylalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.7 and R.sup.8 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.5 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.10 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or --NR.sup.13 R.sup.14, R.sup.11 and R.sup.12 are each independently hydrogen or C.sub.1 -C.sub.4 alkyl, R.sup.13 and R.sup.14 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, X is oxygen or sulfur, and A is an unsubstituted or substituted unsaturated bridge of 4 atoms, of the formula --CH.dbd.CH--Y--, wherein Y is a bridge member of 2 atoms which is selected from the series consisting of --NH--CO--, --NH--SO.sub.2 --, --S--CO--, --S--SO.sub.2 --, --O--CO-- or --O--SO.sub.2 --, and the salts thereof with amines, alkali metal or alkaline earth metal bases or with quaternary ammonium bases, have good pre- and postemergence selective herbicidal and growth regulating properties.

  通式为 ##STR1## 的熔融N-苯磺酰-N'-嘧啶基脲和N-苯磺酰-N'-三嗪基脲，其中Z为氧或硫，E为氮或.dbd.CH--，R.sup.1为氢、卤素、硝基、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4卤代烷基、氰基或--X--R.sup.5、--CO--X--R.sup.6、--CO--NR.sup.7 R.sup.8、--SO--R.sup.9或--SO.sub.2--R.sup.10基团，R.sup.2为氢、C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基，R.sup.3为C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4卤代烷氧基或C.sub.3-C.sub.6环烷基，R.sup.4为氢、卤素、C.sub.1-C.sub.4卤代烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4卤代烷氧基、C.sub.2-C.sub.4烷氧基烷氧基、C.sub.3-C.sub.6环烷基或--NR.sup.11 R.sup.12，R.sup.5为C.sub.3-C.sub.5炔基或未取代或取代卤素或C.sub.1-C.sub.4烷氧基的C.sub.1-C.sub.4烷基，或者为未取代或取代卤素或C.sub.1-C.sub.4烷氧基的C.sub.3-C.sub.5烯基，R.sup.6和R.sup.9各自独立地为C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4卤代烷基、C.sub.2-C.sub.4烷基烷基、C.sub.3-C.sub.5烯基、C.sub.3-C.sub.5炔基、苯基或苄基，R.sup.7和R.sup.8各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4卤代烷基、C.sub.2-C.sub.4烷氧基烷基、C.sub.3-C.sub.5烯基、C.sub.5-C.sub.5炔基、苯基或苄基，R.sup.10为C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4卤代烷氧基或--NR.sup.13 R.sup.14，R.sup.11和R.sup.12各自独立地为氢或C.sub.1-C.sub.4烷基，R.sup.13和R.sup.14各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4卤代烷基、C.sub.2-C.sub.4烷氧基烷基、C.sub.3-C.sub.5烯基、C.sub.3-C.sub.5炔基、苯基或苄基，X为氧或硫，A为4个原子的未取代或取代的不饱和桥，公式为--CH.dbd.CH--Y--，其中Y是2个原子的桥成员，选自--NH--CO--、--NH--SO.sub.2--、--S--CO--、--S--SO.sub.2--、--O--CO--或--O--SO.sub.2--系列，以胺、碱金属或碱土金属碱或季铵碱的盐形式存在，具有良好的前和后除草和生长调节性能。
• Fused N-phenylsulfonyl-N-triazinylureas
  申请人：Ciba-Geigy Corporation

  公开号：US04589911A1

  公开（公告）日：1986-05-20

  Fused N-phenylsulfonyl-N'-triazinylurea of formula I ##STR1## wherein Z is oxygen or sulfur, R.sup.1 is hydrogen, halogen, nitro, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, cyano, or a --X--R.sup.5, --CO--X--R.sup.6, --CO--NR.sup.7 R.sup.8, --SO--R.sup.9 or --SO.sub.2 --R.sup.10 group, R.sup.2 is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy, R.sup.3 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or C.sub.3 -C.sub.6 cycloalkyl, R.sup.4 is hydrogen, halogen, C.sub.1 -C.sub.4 haloalkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy, C.sub.2 -C.sub.4 alkoxyalkoxy, C.sub.3 -C.sub.6 cycloalkyl or --NR.sup.11 R.sup.12, R.sup.5 is C.sub.3 -C.sub.5 alkynyl or C.sub.1 -C.sub.4 alkyl which is unsubstituted or substituted by halogen or C.sub.1 -C.sub.4 -alkoxy, or is C.sub.3 -C.sub.5 alkenyl, which is unsubstituted or is substituted by halogen or C.sub.1 -C.sub.4 -alkoxy, R.sup.6 and R.sup.9 are each independently C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.7 and R.sup.8 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, R.sup.10 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, C.sub.1 -C.sub.4 haloalkoxy or --NR.sup.13 R.sup.14, R.sup.11 and R.sup.12 are each independently hydrogen or C.sub.1 -C.sub.4 alkyl, R.sup.13 and R.sup.14 are each independently hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 haloalkyl, C.sub.2 -C.sub.4 alkoxyalkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, phenyl or benzyl, and X is oxygen or sulfur, or a salt thereof have good pre and post-emergence selective herbicidal and growth regulating properties.

  化合物I的公式为##STR1##其中Z为氧或硫，R1为氢，卤素，硝基，C1-C4烷基，C1-C4卤代烷基，氰基或--X--R5，--CO--X--R6，--CO--NR7R8，--SO--R9或--SO2--R10基团，R2为氢，C1-C4烷基或C1-C4烷氧基，R3为C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基或C3-C6环烷基，R4为氢，卤素，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基，C2-C4烷氧基烷氧基，C3-C6环烷基或--NR11R12，R5为C3-C5炔基或未取代或取代卤素或C1-C4烷氧基的C1-C4烷基，或为未取代或取代卤素或C1-C4烷氧基的C3-C5烯基，R6和R9各自独立地为C1-C4烷基，C1-C4卤代烷基，C2-C4烷氧基烷基，C3-C5烯基，C3-C5炔基，苯基或苄基，R7和R8各自独立地为氢，C1-C4烷基，C1-C4卤代烷基，C2-C4烷氧基烷基，C3-C5烯基，C3-C5炔基，苯基或苄基，R10为C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷氧基或--NR13R14，R11和R12各自独立地为氢或C1-C4烷基，R13和R14各自独立地为氢，C1-C4烷基，C1-C4卤代烷基，C2-C4烷氧基烷基，C3-C5烯基，C3-C5炔基，苯基或苄基，X为氧或硫，或其盐具有良好的前和后除草和生长调节性能。
• Anellierte N-Phenylsulfonyl-N'-pyrimidinyl- und -triazinylharnstoffe
  申请人：CIBA-GEIGY AG

  公开号：EP0128116B1

  公开（公告）日：1987-08-12
• US4589911A
  申请人：——

  公开号：US4589911A

  公开（公告）日：1986-05-20