226944-49-6

Basic information

• Product Name: 3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one
• Synonyms: 3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one
• CAS NO: 226944-49-6
• Molecular Weight: 339.326
• Mol File: 226944-49-6.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: 3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one(226944-49-6)
• EPA Substance Registry System: 3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one(226944-49-6)

Safety Data

• Hazardous Substances Data: 226944-49-6(Hazardous Substances Data)

Upstream product

• 5682-75-7 3-chloro-2-cyclohexenone 
• 110964-79-9 4-methanesulfonyl-2-nitro-benzoic acid 
• 98-59-9 p-toluenesulfonyl chloride 
• 3185-99-7 Methyl p-tolyl sulfone 
• 110964-80-2 4-methylsulphonyl-2-nitrobenzoyl chloride 
• 1874-83-5 cyclohexane-1,3-dione sodium enolate 
• 616-83-1 4-methyl-3-nitrobenzenesulfonyl chloride 
• 88-72-2 1-methyl-2-nitrobenzene 
• 1671-49-4 1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene 
• 97-07-4 1-chloro-4-methanesulfonyl-2-nitrobenzene 
• 453-72-5 1-fluoro-4-methanesulfonyl-2-nitrobenzene 
• 765-87-7 cyclohexane-1,2-dione 
• 504-02-9 1,3-cylohexanedione 

Downstream Products

• 104206-82-8 mesotrione 

Relevant articles and documents

A method for preparing nitroxalone herbicide

The present invention belongs to the field of organic synthesis, specifically relates to a method for preparing nitrosulfonone herbicides. 4-Methylsulfonyl-2-nitrobenzoic acid as raw material by acyl chloride reaction, esterification reaction to obtain a

SYNTHESIS OF MESOTRIONE

The present disclosure relates to a method for the synthesis of mesotrione. The method comprises reacting p-toluene sulfonyl chloride with alkali metal sulphite and alkali metal bicarbonate to obtain p-toluene alkali metal sulfinate. The p-toluene alkali metal sulfinate is reacted with alkali metal salt of monochloroacetic acid to obtain p- methylsulfonyl toluene. Further, p-methylsulfonyl toluene is nitrated to obtain 2-nitro-p- methylsulfonyl toluene. 2-nitro-p-methylsulfonyl toluene is oxidized and then halogenated to obtain 2-nitro-p-methylsulfonylbenzoyl halide. 2-nitro-p-methylsulfonylbenzoyl halide is reacted with alkali metal salt of 1,3-cyclohexanedione to obtain 3-(2-Nitro-p-methyl sulfonyl benzoyloxy) cyclohexane-l-one. 3-(2-Nitro-p-methyl sulfonyl benzoyloxy) cyclohexane-1- one is reacted with base, a third fluid medium and cyanide ion source to obtain an amorphous mesotrione. The present disclosure also discloses the steps of converting the amorphous mesotrione to crystalline mesotrione having purity greater than 99 %. The process of the present disclosure for preparing mesotrione is rapid, economic, and environment friendly.

A method for preparing of mesotrione

The invention provides a preparation method of mesotrione. The preparation method comprises is capable of preparing the target product from raw materials such as ortho-nitrotoluene, chlorosulfonic acid, sulfoxide chloride, sodium sulfite, chloroactic acid, 1,3-cyclohexanedione in the presence of a catalyst and acid-base. The preparation method is based on common chemical raw materials, the reaction flow of each step is implemented under conventional operation conditions, the amount of three wastes is low, the total yield is above 61%, the purity of the product is high, the purity of the coarse product of the mesotrione is greater than 98%, and the coarse product of the mesotrione can be further purified; as a result, the preparation method of mesotrione is applicable to large-scale industrial production.