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
- Molecular Weight:
- 214.24
- MDL Number:
- MFCD00216495
- MOL File:
- 90536-66-6.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 4-(Methylsulfonyl)phenylacetic acid 97% | 579114 | 1g | $20 |
| 4-(Methylsulfonyl)phenylacetic acid 97% | 579114 | 5g | $21 |
| 4-(Methylsulfonyl)phenylacetic Acid >98.0%(T) | M1899 | 1g | $28 |
| 4-(Methylsulfonyl)phenylacetic Acid >98.0%(T) | M1899 | 5g | $82 |
| 4-(Methylsulfonyl)phenylacetic Acid | M327255 | 10g | $240 |
| More product size | |||
| 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 |
| 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) |
| FDA UNII | C39I2W89XI |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H319 | |||||||||
| Precautionary statements | P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29309090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 | |||||||||
| NFPA 704 |
|
4-Methylsulphonylphenylacetic acid price More Price(29)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 579114 | 4-(Methylsulfonyl)phenylacetic acid 97% | 90536-66-6 | 1g | $20 | 2023-06-20 | Buy |
| Sigma-Aldrich | 579114 | 4-(Methylsulfonyl)phenylacetic acid 97% | 90536-66-6 | 5g | $21 | 2023-06-20 | Buy |
| TCI Chemical | M1899 | 4-(Methylsulfonyl)phenylacetic Acid >98.0%(T) | 90536-66-6 | 1g | $28 | 2025-07-31 | Buy |
| TCI Chemical | M1899 | 4-(Methylsulfonyl)phenylacetic Acid >98.0%(T) | 90536-66-6 | 5g | $82 | 2025-07-31 | Buy |
| TRC | M327255 | 4-(Methylsulfonyl)phenylacetic Acid | 90536-66-6 | 10g | $240 | 2021-12-16 | 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.
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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| sgtlifesciences pvt ltd | +8617013299288 | dj@sgtlifesciences.com | China | 12373 | 58 |
| Coresyn Pharmatech Co., Ltd. | +86-571-86626709 +86-18157142896 | cbc@coresyn.com | China | 9984 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8618531123677 | faithe@yan-xi.com | China | 5853 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5242 | 58 |
| Anhui Ruihan Technology Co., Ltd | +8617756083858 | daisy@anhuiruihan.com | China | 973 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29735 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 13676 | 58 |
| Shanghai Bojing Chemical Co.,Ltd. | +86-86-02137122233 +8613795318958 | bj1@bj-chem.com | China | 299 | 55 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21597 | 55 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29831 | 58 |
View Lastest Price from 4-Methylsulphonylphenylacetic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-06-20 | 4-(Methylsulfonyl)phenylacetic acid
90536-66-6
|
US $1.00 / kg | 1kg | 99% | 20tons | Hebei Yanxi Chemical Co., Ltd. | |
 |
2025-05-26 | 4-Methylsulphonylphenylacetic Acid
90536-66-6
|
US $5.00-2.00 / KG | 1KG | 99% | 10000kg | Hebei Chuanghai Biotechnology Co,.LTD | |
 |
2025-04-04 | 4-Methylsulphonylphenylacetic acid
90536-66-6
|
US $0.00-0.00 / kg | 1kg | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd.
|
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- 4-(Methylsulfonyl)phenylacetic acid
90536-66-6
- US $1.00 / kg
- 99%
- Hebei Yanxi Chemical Co., Ltd.
-
- 4-Methylsulphonylphenylacetic Acid
90536-66-6
- US $5.00-2.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
-
- 4-Methylsulphonylphenylacetic acid
90536-66-6
- US $0.00-0.00 / kg
- 98%
- Henan Aochuang Chemical Co.,Ltd.
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