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)

form 

Solid

pka

3.90±0.10(Predicted)

color 

White to Pale Yellow

Water Solubility 

slight

BRN 

2646649

CAS DataBase Reference

90536-66-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

26

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29309090

MSDS

• Language:English Provider:4-Methylsulphonylphenylacetic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Methylsulphonylphenylacetic acid Usage And Synthesis

Chemical Properties

yellow to beige-brown crystalline powder

Uses

4-(Methylsulfonyl)phenylacetic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Preparation

synthesis 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.

Application

4-(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.

4-Methylsulphonylphenylacetic acid(90536-66-6)Related Product Information

• 2-Methylphenylacetic acid
• 2-Hydroxyphenylacetic acid
• 4-Methoxyphenylacetic acid
• Phenethyl phenylacetate
• 4-Hydroxyphenylacetic acid
• DIMETHYL PYRIDINE-2,5-DICARBOXYLATE
• Methyl 2-methylnicotinate
• 4-(METHYLSULFONYL)PHENYLACETONITRILE
• Etoricoxib Impurity 18
• Etoricoxib
• Etoricoxib Impurity 15
• (Z)-1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone oxime
• Etoricoxib Impurity 31
• Etoricoxib iMpurity 1
• Etoricoxib IMpurity
• Etoricoxib Impurity 7
• Etoricoxib impurity 22
• Etoricoxib Impurity 9