120100-77-8

Basic information

• Product Name: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
• Synonyms: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
• CAS NO: 120100-77-8
• Molecular Weight: 346.712
• Mol File: 120100-77-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid(120100-77-8)
• EPA Substance Registry System: 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid(120100-77-8)

Safety Data

• Hazardous Substances Data: 120100-77-8(Hazardous Substances Data)

Usage

General Description

2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, also known as Rofecoxib, is a nonsteroidal anti-inflammatory drug (NSAID) used to relieve symptoms of arthritis, acute pain, and dysmenorrhea. It works by inhibiting the enzyme cyclooxygenase-2 (COX-2), which is involved in the production of prostaglandins that cause inflammation and pain. This chemical has been found to be effective in reducing pain and inflammation associated with various conditions, and it has been used in both oral and injectable forms. However, Rofecoxib has been associated with serious cardiovascular and gastrointestinal side effects, leading to its withdrawal from the market in many countries.

Upstream product

• 120100-04-1 2-chloro-3-methyl-4-(methylsulfonyl)benzoic acid methyl ester 
• 120100-44-9 methyl 3-bromomethyl-2-chloro-4-methyl-sulfonylbenzoate 
• 75-89-8 2,2,2-trifluoroethanol 
• 106904-09-0 2-chloro-3-methyl-4-methanesulfonyl benzoic acid 
• 181997-72-8 2'-chloro-3'-methyl-4'-(methylsulfonyl)acetophenone 
• 82961-57-7 3-Chloro-2-methylphenyl methyl sulphone 
• 420-87-1 sodium 2,2,2-trifluoroethanolate 

Downstream Products

• 1361135-80-9 C₁₃H₁₃ClF₃N₅O₄S 
• 263401-21-4 2-chloro-3-(2,2,2-trifluoroethoxy)methyl-4-methanesulfonylbenzoic acid 3-oxo-1-cyclohexenyl ester 
• 335104-84-2 tembotrione 
• 1461658-10-5 C₁₆H₁₈ClF₃N₄O₄S 
• 1118729-23-9 2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl chloride 
• 1280179-76-1 N-(4-benzoyl-1,2,5-oxadiazol-3-yl)-2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzamide 
• 1279705-45-1 2-chloro-N-(4-methoxy-1,2,5-oxadiazol-3-yl)-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzamide 

Relevant articles and documents

Preparation method of 2-chloro-3-alkoxymethyl-4-methylsulfonylbenzoic acid

The invention relates to a preparation method of 2-chloro-3-alkoxymethyl-4-methylsulfonylbenzoic acid. The method comprises the following steps of: carrying out an esterolysis reaction on a raw material methyl 2-chloro-3-bromomethyl-4-methanesulfonylbenzoate in a tertiary alcohol solvent in the presence of an alkaline substance to obtain 2-chloro-3-bromomethyl-4-methanesulfonylbenzoate; and reacting 2-chloro-3-bromomethyl-4-methylsulfonylbenzoate with alcohol in the presence of an alkaline substance or reacting 2-chloro-3-bromomethyl-4-methylsulfonylbenzoate with alkali metal alkoxide to obtain the 2-chloro-3-alkoxy methyl-4-methylsulfonylbenzoic acid. According to the preparation method provided by the invention, tertiary alcohol is used as a solvent, and the raw materials are subjected to an esterolysis reaction in the presence of an alkaline substance, so that the content of impurities is reduced, the yield and the quality of a target compound are greatly improved, and a guarantee is provided for finally synthesizing high-quality tembotrione and tefuryltrione technical materials.

Process for synthesis of Triketone-based herbicide link sulphur grass alkone

The invention relates to a process for synthesizing triketone herbicide cyclic sulcotrione. The method comprises the following steps: (1) synthesizing 2-chloro-6-methylsulfonyl methylbenzene; (2) synthesizing 2-chloro-3-acetyl-6-methylsulfonyl methylbenzene; (3) synthesizing 2-chloro-3-methyl-4-methylsulfonyl benzoic acid; (4) synthesizing methyl 2-chloro-3-methyl-4-methylsulfonyl benzoate; (5) synthesizing methyl 2-chloro-3-bromomethyl-4-methylsulfonyl benzoate; (6) synthesizing 2-chloro-3-(2,2,2-trifluoroethyoxy)methyl-4-methylsulfonyl benzoic acid; (7) synthesizing 2-chloro-3-(2,2,2-trifluoroethyoxy)methyl-4-methylsulfonyl benzoic acid 3-oxo-1-cyclohexene ester; and (8) synthesizing cyclic sulcotrione. The process disclosed by the invention has the beneficial effects that the reaction steps are reduced, the reaction time is shortened, and the yield of intermediates is improved; the reaction conditions are mild and safe; and the cost is reduced.