methyl 3-bromomethyl-4-methanesulfonyl-2-methylbenzoate | 196819-81-5

• 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: methyl 3-bromomethyl-4-methanesulfonyl-2-methylbenzoate
• 英文别名: methyl 3-bromomethyl-4-methylsulfonyl-2-methylbenzoate；methyl 3-(bromomethyl)-2-methyl-4-methylsulfonylbenzoate
• CAS: 196819-81-5
• 化学式: C₁₁H₁₃BrO₄S
• 分子量: 321.192
• InChiKey: FSBOJNNJAWBAOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-bromomethyl-4-methanesulfonyl-2-methylbenzoate 在 N-甲基吗啉氧化物 作用下， 以 乙腈 为溶剂， 以90 %的产率得到methyl 3-formyl-4-methanesulfonyl-2-methylbenzoate
  参考文献：
  名称：

  一种3-（4,5-二氢-3-异噁唑基）-2-甲基-4-甲砜基苯甲酸甲酯的制备方法

  摘要：

  本发明涉及有机合成技术领域，尤其涉及一种3‑(4,5‑二氢‑3‑异噁唑基)‑2‑甲基‑4‑甲砜基苯甲酸甲酯的制备方法。本发明所述制备方法是以3‑氨基‑邻二甲苯为起始原料，依次经过重氮化上甲硫基、溴化、格式法羧基化、氧化、酯化、溴化、氧化、肟化、氯化和乙烯1,3‑偶极加成等单元合成；所述制备方法操作简单、单元反应选择性好、收率高、成本低，且原材料容易够买。

  公开号：

  CN116947775A
• 作为产物：
  描述：

  methyl 2,3-dimethyl-4-methanesulfonylbenzoate 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 以43.4%的产率得到methyl 3-bromomethyl-4-methanesulfonyl-2-methylbenzoate
  参考文献：
  名称：

  Benzoylpyrazole compounds, intermediate preparing therefor and herbicides

  摘要：

  一个由通式[I]##STR1##表示的化合物（其中R.sup.1是一个C.sub.1-C.sub.6烷基基团；R.sup.2是一个C.sub.1-C.sub.6烷基磺酰基团等；R.sup.3和R.sup.4分别独立地是氢或一个C.sub.1-C.sub.6烷基基团；R.sup.5是氢或苄基团等；R.sup.7、R.sup.8、R.sup.9和R.sup.10分别独立地是氢或一个C.sub.1-C.sub.6烷基基团。）或含有其盐的除草剂，用于制备其中间体的方法，以及所述的化合物。

  公开号：

  US06147031A1

文献信息

• Benzoylpyrazole compounds, intermediate preparing therefor and herbicides
  申请人：Nippon Soda Co., Ltd.

  公开号：US06147031A1

  公开（公告）日：2000-11-14

  A compound represented by the general formula [I] ##STR1## (wherein R.sup.1 is a C.sub.1 -C.sub.6 alkyl group; R.sup.2 is a C.sub.1 -C.sub.6 alkylsulfonyl group and the like; R.sup.3 and R.sup.4 are each independently hydrogen or a C.sub.1 -C.sub. 6 alkyl group; R.sup.5 is hydrogen or a benzyl group or the like; R.sup.7, R.sup.8, R.sup.9 and R.sup.10 are each independently hydrogen or a C.sub.1 -C.sub.6 alkyl group.) or a herbicide containing a salt thereof, intermediate preparing therefor, and the said compound.

  一个由通式[I]##STR1##表示的化合物（其中R.sup.1是一个C.sub.1-C.sub.6烷基基团；R.sup.2是一个C.sub.1-C.sub.6烷基磺酰基团等；R.sup.3和R.sup.4分别独立地是氢或一个C.sub.1-C.sub.6烷基基团；R.sup.5是氢或苄基团等；R.sup.7、R.sup.8、R.sup.9和R.sup.10分别独立地是氢或一个C.sub.1-C.sub.6烷基基团。）或含有其盐的除草剂，用于制备其中间体的方法，以及所述的化合物。
• Compound and herbicidal composition for weed control
  申请人：Nippon Soda Co., Ltd.

  公开号：US05939360A1

  公开（公告）日：1999-08-17

  The present invention is directed to a compound of formula \x9bI!: ##STR1## or a salt thereof in which R.sub.1 is a a C.sub.1-6 alkyl group, R.sup.2 is a halogen atom, a C.sub.1-6 alkylthio group, a C.sub.1-6 alkylsulfinyl group or a C.sub.1-6 alkylsulfonyl group, R.sup.3 and R.sup.4 are each independently hydrogen, a C.sub.1-6 alkyl group or a C.sub.1-6 haloalkyl group, and R is hydrogen or a C.sub.1-6 alkyl group. The present invention is further directed to a compound of formula \x9b1! or a salt thereof, as described above and in which R.sup.1 and R.sup.3 are methyl, R.sup.2 is chlorine or methylsulfonyl, R.sup.4 is hydrogen, and R is methyl or ethyl. In addition, the present invention is directed to a herbicidal composition, characterized in that it contains as active agent one or more compounds of formula \x9bI! or salt thereof in which R.sup.1, R.sup.2, R.sup.3, R.sup.4 are as described above.

  本发明涉及一种式为\x9bI!: ##STR1##或其盐的化合物，其中R.sub.1是C.sub.1-6烷基，R.sup.2是卤素原子、C.sub.1-6烷基硫基、C.sub.1-6烷基亚砜基或C.sub.1-6烷基磺酰基，R.sup.3和R.sup.4各自独立地是氢、C.sub.1-6烷基或C.sub.1-6卤代烷基，而R是氢或C.sub.1-6烷基。本发明还涉及一种式为\x9b1!或其盐的化合物，如上所述，其中R.sup.1和R.sup.3是甲基，R.sup.2是氯或甲基磺酰基，R.sup.4是氢，而R是甲基或乙基。此外，本发明还涉及一种除草剂组合物，其特征在于其包含一种或多种式为\x9bI!或其盐的化合物作为活性剂，其中R.sup.1、R.sup.2、R.sup.3、R.sup.4如上所述。
• HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0894792A1

  公开（公告）日：1999-02-03

  The present invention is directed to heterocycle-substituted benzene derivatives represented by a general formula [I]; Wherein R1 is halogeno, C1-C4 alkyl, C1-C4 alkoxy, nitro, cyano, C1-C4 haloalkyl or the like; R2 is halogeno, nitro, cyano, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, C1-C4 alkylthio or the like; R3 and R4 each independently represent hydrogen, C1-C4 alkyl or the like; T represents cyclohexanedione-1,3-dione cyclic group represented by a general formula [II]; wherein R5, R6, R7, R8, R9 and R10 are each independently halogeno, C1-C4 alkyl, C1-C4 haloalkyl, C1-C4 alkoxy or the like, or either R5 or R6 and either R7 or R8 may together form C1-C5 alkylene chain, and the salts thereof. The compounds according to the present invention have excellent herbicidal activity, and the herbicidal formulations prepared according to the present invention containing the inventive compounds are useful as hercicides being selectively-safe to objective agricultural crops.

  本发明涉及通式 [I] 所代表的杂环取代苯衍生物； 其中 R1 是卤代、C1-C4 烷基、C1-C4 烷氧基、硝基、氰基、C1-C4 卤代烷基或类似物；R2 是卤代、硝基、氰基、C1-C4 烷基、C1-C4 烷氧基、C1-C4 卤代烷基、C1-C4 卤代烷氧基、C1-C4 烷硫基或类似物； R3 和 R4 各自独立地代表氢、C1-C4 烷基或类似物； T 代表由通式[II]代表的环己二酮-1,3-二酮环状基团； 其中 R5、R6、R7、R8、R9 和 R10 各自独立地为卤素、C1-C4 烷基、C1-C4 卤代烷基、C1-C4 烷氧基或类似物，或者 R5 或 R6 与 R7 或 R8 可共同形成 C1-C5 亚烷基链，以及它们的盐。根据本发明制备的化合物具有优异的除草活性，根据本发明制备的含有本发明化合物的除草制剂可用作对目标农作物选择性安全的除草剂。
• NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1031573A1

  公开（公告）日：2000-08-30

  A compound represented by the general formula [I] (wherein R1 is a C1 - C6 alkyl group; R2 is a C1 - C6 alkylsulfonyl group and the like; R3 and R4are each independently hydrogen or a C1 - C6 alkyl group; R5 is hydrogen or a benzyl group or the like; R7, R8 , R9 and R10 are each independently hydrogen or a C1 - C6 alkyl group. ) or a herbicide containing a salt thereof, intermediate preparing therefor, and the said compound.

  通式[I]代表的化合物 (其中 R1 是 C1 - C6 烷基；R2 是 C1 - C6 烷基磺酰基或类似基团；R3 和 R4 各自独立地为氢或 C1 - C6 烷基；R5 是氢或苄基或类似基团；R7、R8、R9 和 R10 各自独立地为氢或 C1 - C6 烷基。)或含有其盐的除草剂、中间体制备方法以及上述化合物。
• BENZOYLPYRAZOLE DERIVATIVES HAVING SPECIFIED SUBSTITUENTS AND HERBICIDES
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0990649B1

  公开（公告）日：2004-05-12