396583

4′-(Methylthio)acetophenone

97%

• Linear Formula: CH₃SC₆H₄COCH₃
• CAS Number: 1778-09-2
• Molecular Weight: 166.24
• EC Number: 217-213-1
• MDL number: MFCD00039835
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24864677
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 97%
• mp: 80-82 °C (lit.)
• 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

설명

일반 설명

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.

애플리케이션

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.

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319,H335
• 예방조치 성명서: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 표적 기관: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves