Identification | More | [Name]
4-Methylsulphonylphenylacetic acid | [CAS]
90536-66-6 | [Synonyms]
4-MESYLPHENYLACETIC ACID 4-(METHANESULFONYL)PHENYLACETIC ACID 4-(METHYLSULFONYL)PHENYLACETIC ACID 4-METHYLSULPHONYLPHENYLACETIC ACID TIMTEC-BB SBB009970 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 | [EINECS(EC#)]
618-577-8 | [Molecular Formula]
C9H10O4S | [MDL Number]
MFCD00216495 | [Molecular Weight]
214.24 | [MOL File]
90536-66-6.mol |
Chemical Properties | Back Directory | [Appearance]
yellow to beige-brown crystalline powder | [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 Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29309090 |
Hazard Information | Back Directory | [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. | [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. | [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. |
|
|