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HomeProduct name list4-Methylsulphonylphenylacetic acid

4-Methylsulphonylphenylacetic acid

  • CAS NO.:90536-66-6
  • Empirical Formula: C9H10O4S
  • Molecular Weight: 214.24
  • MDL number: MFCD00216495
  • EINECS: 618-577-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-21 22:41:43
4-Methylsulphonylphenylacetic acid Structural

What is 4-Methylsulphonylphenylacetic acid?

Chemical properties

yellow to beige-brown crystalline powder

The Uses of 4-Methylsulphonylphenylacetic acid

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.

What are the applications of 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.

Properties of 4-Methylsulphonylphenylacetic acid

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)
pka 3.90±0.10(Predicted)
form  Solid
color  White to Pale Yellow
Water Solubility  slight
BRN  2646649
CAS DataBase Reference 90536-66-6(CAS DataBase Reference)

Safety information for 4-Methylsulphonylphenylacetic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Methylsulphonylphenylacetic acid

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