4'-Methylthioacetophenone
- CAS NO.：1778-09-2
- Empirical Formula: C9H10OS
- Molecular Weight: 166.24
- MDL number: MFCD00039835
- EINECS: 217-213-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is 4'-Methylthioacetophenone?
Chemical properties
White to light yellow crystal powde
The Uses of 4'-Methylthioacetophenone
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.
Synthesis Reference(s)
Journal of the American Chemical Society, 73, p. 2857, 1951 DOI: 10.1021/ja01150a127
The Journal of Organic Chemistry, 56, p. 5955, 1991 DOI: 10.1021/jo00020a048
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.
Properties of 4'-Methylthioacetophenone
| Melting point: | 80-82 °C(lit.) |
| Boiling point: | 135 °C |
| Density | 1.1369 (rough estimate) |
| refractive index | 1.5600 (estimate) |
| Flash point: | 135°C/1mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Solid |
| color | White to Off-White |
| BRN | 1860517 |
| CAS DataBase Reference | 1778-09-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-CH3S-C6H4-COCH3(1778-09-2) |
| EPA Substance Registry System | 4'-(Methylmercapto)acetophenone (1778-09-2) |
Safety information for 4'-Methylthioacetophenone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4'-Methylthioacetophenone
4'-Methylthioacetophenone manufacturer
Swadev Chemicals
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Phone:+917203031021
Whatsapp: +91-7203031021
product: 4'-(Methylmercapto)-acetophenone 98%
Swadev Chemicals
Gujarat
Phone:91-9662501021
Whatsapp: 91-9662501021
product: 4'-(Methylmercapto)-acetophenone
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