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4′-(Methylthio)acetophenone

ALDRICH/396583 - 97%

CAS Number: 1778-09-2
Empirical Formula (Hill Notation): C9H10OS
Molecular Weight: 166.24
EC Number: 217-213-1
MDL Number: MFCD00039835
Linear Formula: CH3SC6H4COCH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-396583-1G 1 g
 $24.80
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 396583-1G

 

assay 97%
InChI 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI key JECUZQLBQKNEMW-UHFFFAOYSA-N
mp 80-82 °C (lit.)
SMILES string CSc1ccc(cc1)C(C)=O
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.
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.
Packaging: 1 g in glass bottle
Purity 97%
mp 80-82 °C (lit.)
UNSPSC 12352100

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