396583

4′-(Methylthio)acetophenone

97%

• Formula condensata: CH₃SC₆H₄COCH₃
• Numero CAS: 1778-09-2
• Peso molecolare: 166.24
• Numero CE: 217-213-1
• Numero MDL: MFCD00039835
• Codice UNSPSC: 12352100
• ID PubChem: 24864677
• NACRES: NA.22

Proprietà

• Saggio: 97%
• Punto di fusione: 80-82 °C (lit.)
• Stringa SMILE: CSc1ccc(cc1)C(C)=O
• InChI: 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3; JECUZQLBQKNEMW-UHFFFAOYSA-N

Descrizione

Descrizione generale

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.

Applicazioni

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.

Informazioni sulla sicurezza

• Pittogrammi: GHS07
• Avvertenze: Warning
• Indicazioni di pericolo: H315,H319,H335
• Consigli di prudenza: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Classi di pericolo: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Organi bersaglio: Respiratory system
• Codice della classe di stoccaggio: 11 - Combustible Solids
• Classe di pericolosità dell'acqua (WGK): WGK 3
• Punto d’infiammabilità (°F): Not applicable
• Punto d’infiammabilità (°C): Not applicable
• Dispositivi di protezione individuale: dust mask type N95 (US), Eyeshields, Gloves