321-21-1

Basic information

• Product Name: 4-Fluoro-2-methylbenzoic acid
• Synonyms: RARECHEM AL BE 0506;4-FLUORO-2-METHYLBENZOIC ACID;4-FLUORO-O-TOLUIC ACID ;4-Fluoro-2-methylbenzoic acid 99%;4-Fluoro-2-methylbenzoicacid99%;4-FLUORO-2-METHYLBENZOIC ACID 98.0%;2-Carboxy-5-fluorotoluene;2-Carboxy-5-fluorotoluene, 4-Fluoro-o-toluic acid
• CAS NO: 321-21-1
• Molecular Formula: C₈H₇FO₂
• Molecular Weight: 154.14
• EINECS: 206-284-4
• Product Categories: Fluorin-contained Benzoic acid series;Benzoic acid;C8;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 321-21-1.mol
• Article Data: 14

Chemical Properties

• Melting Point: 168-172 °C(lit.)
• Boiling Point: 265.6 °C at 760 mmHg
• Flash Point: 114.5 °C
• Appearance: white to light yellow crystal powder
• Density: 1.258 g/cm³
• Vapor Pressure: 4.49mmHg at 25°C
• Refractive Index: 1.471
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.86±0.25(Predicted)
• Water Solubility: Insoluble in water
• CAS DataBase Reference: 4-Fluoro-2-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluoro-2-methylbenzoic acid(321-21-1)
• EPA Substance Registry System: 4-Fluoro-2-methylbenzoic acid(321-21-1)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 321-21-1(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

InChI:InChI=1/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Upstream product

• 446-29-7 1-(4-fluoro-2-methylphenyl)ethanone 
• 456-22-4 4-Fluorobenzoic acid 
• 74-88-4 methyl iodide 
• 7499-07-2 4-chloro-2-methylbenzoic acid 
• 594-19-4 tert.-butyl lithium 
• 598-30-1 sec.-butyllithium 
• 452-63-1 2-Bromo-5-fluorotoluene 
• 201230-82-2 carbon monoxide 
• 352-70-5 m-Fluorotoluene 
• 557-91-5 1,1-Dibromoethane 
• 124-38-9 carbon dioxide 
• 79825-05-1 2-methyl-4-fluoro-4'-methylbenzophenone 
• 147754-12-9 4-fluoro-2-methylbenzonitrile 
• 112399-50-5 2-bromo-5-fluorobenzyl bromide 

Downstream Products

• 21900-43-6 4-fluoro-2-methylbenzoyl chloride 
• 1026030-54-5 5-(chlorosulfonyl)-4-fluoro-2-methylbenzoic acid 
• 190367-38-5 4-fluoro-2-methyl-5-(methylsulfonyl)benzoic acid 
• 1026482-41-6 4-Fluoro-5-methanesulfonyl-2-methyl-benzoyl chloride 
• 190367-94-3 4-Hydroxy-5-methanesulfonyl-2-methyl-benzoic acid 
• 190367-50-1 4-fluoro-5-methanesulfonyl-2-methyl-benzoic acid methyl ester 
• 190367-90-9 5-Methanesulfonyl-4-methoxy-2-methyl-benzoic acid methyl ester 
• 1027515-32-7 5-Methanesulfonyl-2-methyl-4-propylsulfanyl-benzoyl chloride 
• 190367-76-1 5-Methanesulfonyl-2-methyl-4-propylsulfanyl-benzoic acid 
• 176309-15-2 N-diaminomethylene-2-methyl-4-fluoro-5-methylsulphonylbenzamide 
• 190367-77-2 4-tert-Butylsulfanyl-5-methanesulfonyl-2-methyl-benzoic acid 
• 177970-06-8 4-tert-Butoxy-5-methanesulfonyl-2-methyl-benzoic acid methyl ester 
• 177969-77-6 N-diaminomethylene-2-methyl-4-methoxy-5-methylsulfonylbenzamide 
• 190368-19-5 5-Methanesulfonyl-2-methyl-4-phenylamino-benzoic acid 

Relevant articles and documents

Simple and environment-friendly chemical synthesis method of 4-fluoro-2-methyl benzoic acid

The invention relates to a simple and environment-friendly chemical synthesis method of 4-fluoro-2-methyl benzoic acid. According to the synthesis method, m-fluorotoluene and acetyl chloride are takenas starting raw materials, and are subjected to a Friedel-Crafts acylation reaction under the catalytic action of anhydrous aluminum trichloride, a haloform reaction is carried out with sodium hypochlorite, two isomers of 4-fluoro-2-methyl benzoic acid and 2-fluoro-4-methyl benzoic acid are simultaneously obtained after hydrolysis, and the isomers are separated through re-crystallizing so as to obtain the target product 4-fluoro-2-methylbenzoic acid. The route is mild in reaction condition, low in cost, environment-friendly and suitable for industrial production.

Palladium-Catalyzed ortho-C-H Methylation of Benzoic Acids

A palladium-catalyzed methylation of C-H bonds of benzoic acids with di-tert-butyl peroxide as the methylating reagent under an external oxidant and ligand-free conditions has been achieved. The reaction is found to be directed by a weakly coordinating carboxyl group, offering a facile route for the synthesis of highly functionalized ortho-methyl benzoic acids.

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.