ChemicalBook > CAS DataBase List > 4-Methylsulphonylphenylacetic acid

4-Methylsulphonylphenylacetic acid

Product Name: 4-Methylsulphonylphenylacetic acid
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
Formula Weight: 214.24
MOL File: 90536-66-6.mol

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4-Methylsulphonylphenylacetic acid Property

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
InChI: InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: HGGWOSYNRVOQJH-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=C(S(C)(=O)=O)C=C1
CAS DataBase Reference: 90536-66-6(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36
Safety Statements: 26
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29309090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H319Causes serious eye irritation
Precautionary statements: P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 579114
Product name: 4-(Methylsulfonyl)phenylacetic acid
Purity: 97%
Packaging: 1g
Price: $20
Updated: 2023/06/20

Sigma-Aldrich

Product number: 579114
Product name: 4-(Methylsulfonyl)phenylacetic acid
Purity: 97%
Packaging: 5g
Price: $21
Updated: 2023/06/20

TCI Chemical

Product number: M1899
Product name: 4-(Methylsulfonyl)phenylacetic Acid
Purity: >98.0%(T)
Packaging: 1g
Price: $28
Updated: 2025/07/31

TCI Chemical

Product number: M1899
Product name: 4-(Methylsulfonyl)phenylacetic Acid
Purity: >98.0%(T)
Packaging: 5g
Price: $82
Updated: 2025/07/31

TRC

Product number: M327255
Product name: 4-(Methylsulfonyl)phenylacetic Acid
Packaging: 10g
Price: $240
Updated: 2021/12/16

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4-Methylsulphonylphenylacetic acid Chemical Properties,Usage,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.

Synthesis

300355-18-4

90536-66-6

General Steps: Scheme I (c) Synthesis of Intermediate-9 Reagents and conditions: i) Methanol, concentrated sulfuric acid, reflux, 3 hours; ii) Methyl iodide, potassium carbonate, N,N-dimethylformamide, room temperature, 3 hrs; iii) m-chloroperbenzoic acid, dichloromethane, room temperature, 12 hours; iv) sodium hydroxide, methanol, water, room temperature, 12 hours. Step iv: Synthesis of 2-(4-(methylsulfonyl)phenyl)acetic acid The method of step-v of Scheme 1 (a) was used to obtain the title compound [0.56 g, 51% yield]. NMR (300 MHz, DMSO-d6): δ 12.58 (s, 1H), 7.88-7.85 (m, 2H), 7.54-7.52 (m, 2H), 3.73 (s, 2H), 3.20 (s, 3H). Step v: Synthesis of 2-(4-(ethylsulfonyl)phenyl)acetic acid To a 50mL round bottom flask was added ethyl 2-(4-(ethylsulfonyl)phenyl)acetate (2.5g, 0.0098mol) and ethanol (18mL). To the same flask was added aqueous sodium hydroxide (1.42 g, 0.0355 mol, dissolved in 18 mL of water) and then stirred at room temperature for 12 hours. The volatiles were evaporated under reduced pressure to give a residue. The residue was acidified with dilute hydrochloric acid to pH 5.0. The organic layer was extracted with ethyl acetate, separated, washed with brine, dried with anhydrous sodium sulfate, and evaporated under reduced pressure to give the title compound [2.4 g, 91% yield]. NMR (400 MHz, DMSO-d6): δ 12.5 (brs, 1H), 7.84 (d, 2H), 7.56 (d, 2H), 3.74 (s, 2H), 3.13 (q, 2H), 1.20 (t, 3H).

References

[1] Patent: WO2015/101928, 2015, A1. Location in patent: Page/Page column 33; 35; 37

4-Methylsulphonylphenylacetic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-Methylsulphonylphenylacetic acid manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: 4-Methylsulphonylphenylacetic acid 90536-66-6
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-30

Hebei Yanxi Chemical Co., Ltd.

Product: 4-(Methylsulfonyl)phenylacetic acid 90536-66-6
Price: US $1.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20tons
Release date: 2023-09-07

Hebei Chuanghai Biotechnology Co,.LTD

Product: 4-Methylsulphonylphenylacetic Acid 90536-66-6
Price: US $5.00-2.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 10000kg
Release date: 2024-08-21

90536-66-6, 4-Methylsulphonylphenylacetic acidRelated Search:

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

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

2-(4-methylsulfonylphenyl)acetate

Etoricoxib?USP RC B

4-(Carboxymethyl)phenyl methyl sulphone

Etoricoxib Related CoMpound B

Etoricoxib impurity M

4-(Methylsulfonyl)phenylacetic acid 97%

Etoricoxib USP Related Compound B

Etoricoxib Intermediate 5

Etoricoxib Impurity 28

4-(Methylsulfonyl)phenylaceticAcid&gt

OTHER BUILDING BLOCKS

4-(Methylsulfonyl)phenylacetic Acid (Int of Etoricoxib)

Etocoxib impurity 2

4-Methylsulfonylphenylacetic Acid [4MSP]

90536-66-6

35230-23-1

C9H10O4S

H3CSO2C6H4CH2CO2H

Carboxylic acid

Carboxylic Acids

Chemical Synthesis

Organic Building Blocks

Carbonyl Compounds

Carboxylic Acids

Building Blocks

Carbonyl Compounds