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4-Methylsulphonylphenylacetic acid

4-Methylsulphonylphenylacetic acid Structure
CAS No.
90536-66-6
Chemical Name:
4-Methylsulphonylphenylacetic acid
Synonyms
TIMTEC-BB SBB009970;Etoricoxib?USP RC B;Etocoxib impurity 2;4-(Methylsulfonyl)ph;Etoricoxib impurity M;OTHER BUILDING BLOCKS;Etoricoxib Impurity 28;4-MESYLPHENYLACETIC ACID;4-Mesylbenzeneacetic acid;Etoricoxib Intermediate 5
CBNumber:
CB8339797
Molecular Formula:
C9H10O4S
Molecular Weight:
214.24
MOL File:
90536-66-6.mol
MSDS File:
SDS
Modify Date:
2024/4/19 20:05:26

4-Methylsulphonylphenylacetic acid 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

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xi
Risk Statements  36
Safety Statements  26
WGK Germany  3
Hazard Note  Irritant
HS Code  29309090
NFPA 704
0
2 0

4-Methylsulphonylphenylacetic acid price More Price(4)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) M1899 4-(Methylsulfonyl)phenylacetic Acid 90536-66-6 1G ₹2300 2022-05-26 Buy
TCI Chemicals (India) M1899 4-(Methylsulfonyl)phenylacetic Acid 90536-66-6 5G ₹9700 2022-05-26 Buy
ALFA India ALF-L19504-14 4-(Methylsulfonyl)phenylacetic acid, 97% 90536-66-6 25g ₹15984 2022-05-26 Buy
ALFA India ALF-L19504-06 4-(Methylsulfonyl)phenylacetic acid, 97% 90536-66-6 5g ₹5092 2022-05-26 Buy
Product number Packaging Price Buy
M1899 1G ₹2300 Buy
M1899 5G ₹9700 Buy
ALF-L19504-14 25g ₹15984 Buy
ALF-L19504-06 5g ₹5092 Buy

4-Methylsulphonylphenylacetic acid Chemical Properties,Uses,Production

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.

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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 4-(Methanesulfonyl)phenylaceticacid,97% 4-Methylsulfonylphenylacetic Benzeneacetic acid, 4-(methylsulfonyl)- 4-Mesylbenzeneacetic acid 4-Methylsulphonylphenylacetic acid,95% 4-(Methylsulfonyl)ph 4-(Carboxymethyl)phenyl methyl sulphone Etoricoxib Related CoMpound B Etoricoxib impurity M 4-(Methylsulfonyl)phenylacetic acid 97% Etoricoxib USP Related Compound B 2-(4-methylsulfonylphenyl)acetate Etoricoxib?USP RC B Etoricoxib Intermediate 5 Etoricoxib Impurity 28 4-(Methylsulfonyl)phenylaceticAcid> OTHER BUILDING BLOCKS 4-(Methylsulfonyl)phenylacetic Acid (Int of Etoricoxib) Etocoxib impurity 2 90536-66-6 35230-23-1 C9H10O4S H3CSO2C6H4CH2CO2H Carboxylic acid Carboxylic Acids Chemical Synthesis Organic Building Blocks C9 Carbonyl Compounds Carboxylic Acids Building Blocks Carbonyl Compounds