396583

4′-(Methylthio)acetophenone

97%

• Wzór liniowy: CH₃SC₆H₄COCH₃
• Numer CAS: 1778-09-2
• Masa cząsteczkowa: 166.24
• NACRES: NA.22
• PubChem Substance ID: 24864677
• UNSPSC Code: 12352100
• EC Number: 217-213-1
• MDL number: MFCD00039835
• Assay: 97%

Właściwości

• Quality Segment: 100
• assay: 97%
• mp: 80-82 °C (lit.)
• functional group: ketone, thioether
• SMILES string: CSc1ccc(cc1)C(C)=O
• InChI: 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
• InChI key: JECUZQLBQKNEMW-UHFFFAOYSA-N

Opis

General description

4′-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported. It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst.

Application

4′-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one.

Ta strona może zawierać tekst przetłumaczony maszynowo.

Informacja o środkach bezpieczeństwa

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Klasa składowania: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves