ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic acids 4-Methylsulphonylphenylacetic acid

4-Methylsulphonylphenylacetic acid

4-Methylsulphonylphenylacetic acid Basic information
Product Name:4-Methylsulphonylphenylacetic acid
Synonyms:TIMTEC-BB SBB009970;4-MESYLPHENYLACETIC ACID;4-(METHANESULFONYL)PHENYLACETIC ACID;4-METHYLSULPHONYLPHENYLACETIC ACID;4-(METHYLSULFONYL)PHENYLACETIC ACID;4-methylsulfonyl benzeneacetic acid;4-(Methylsulfonyl)PhenylAceticAcid,Etoricoxib;4-Methyl Sulphonile Phenyle Acetic Acid
CAS:90536-66-6
MF:C9H10O4S
MW:214.24
EINECS:618-577-8
Product Categories:Carboxylic Acids;Chemical Synthesis;C9;Carbonyl Compounds;Carboxylic Acids;Organic Building Blocks;Building Blocks;Carbonyl Compounds
Mol File:90536-66-6.mol
4-Methylsulphonylphenylacetic acid Structure
4-Methylsulphonylphenylacetic acid Chemical Properties
Melting point 136-140 °C(lit.)
Boiling point 324.37°C (rough estimate)
density 1.4230 (rough estimate)
refractive index 1.6000 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
pka3.90±0.10(Predicted)
form Solid
color White to Pale Yellow
Water Solubility slight
BRN 2646649
CAS DataBase Reference90536-66-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36
Safety Statements 26
WGK Germany 3
Hazard Note Irritant
HS Code 29309090
MSDS Information
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4-Methylsulphonylphenylacetic acid English
SigmaAldrich English
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4-Methylsulphonylphenylacetic acid Usage And Synthesis
Chemical Propertiesyellow to beige-brown crystalline powder
Uses4-(Methylsulfonyl)phenylacetic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Preparationsynthesis of 4-(Methylsulfonyl)phenylacetic acid: 1-(4-Methanesulfonyl-phenyl)-ethanone (20 mmol), morpholine (60 mmol) and elemental sulfur (40 mmol) were added in a round-bottom flask and refluxed for 2 h at 398 K. A 3N solution of NaOH (20 ml) was then added, and the reaction mixture refluxed for an additional 30 min. After cooling, the mixture was filtered and the filtrate was acidified with HCl to pH 6. The solution was again filtered off and washed with ethyl acetate. The resulting aqueous fraction was finally acidified with diluted HCl, to yield the pure product as a white solid. Crystals suitable for X-ray analysis were obtained by slow evaporation of an ethanol/water (1:1 v/v) solution.
Application4-(Methylsulfonyl)phenylacetic Acid is an intermediate used to prepare heterocyclic diaryl compounds as selective COX-2 inhibitors. It is also used to synthesize hydroxyfuranones as antioxidants and antiinflammatory agents.
2-(2,6-dichloro-4-(methylsulfonyl)phenyl)acetic acid 2-(4-CYCLOPROPANESULFONYL-PHENYL)-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID [4-(ETHYLSULFONYL)PHENYL]ACETIC ACID (2R)-2-AMINO-2-[4-(METHYLSULFONYL)PHENYL]PROPANOIC ACID (R)-2-(4-CYCLOPROPANESULFONYLPHENYL)-3-(TETRAHYDROPYRAN-4-YL)PROPIONIC ACID Phenethyl phenylacetate [4-(BENZYLSULFONYL)PHENYL]ACETIC ACID 2-Hydroxyphenylacetic acid 4-Methoxyphenylacetic acid RARECHEM AL BI 1119 3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER 2-Methylphenylacetic acid 2-amino-2-[4-(methylsulfonyl)phenyl]propanoic acid 4-Hydroxyphenylacetic acid 4-(TRIFLUOROMETHYLSULPHONYL)PHENYLACETIC ACID 4-Methylsulphonylphenylacetic acid RARECHEM AL BE 0614 Phenylacetic acid
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