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
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) |
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
Abamectin manufacturer
VGS SYNTHESIS PRIVATE LIMITED
SNECOFRi PVT LTD
Vepan Pharmatech Pvt Ltd
Venture Pharmaceuticals pvt ltd
Lakshmi Farmachem
Amogh Chemicals Pvt Ltd
Glyra Health Care Pvt Ltd
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