396583
4′-(Methylthio)acetophenone
97%
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| Size/SKU | Availability | Price |
|---|---|---|
1 g | Check Cart for Availability | $26.40 |
About This Item
Linear Formula:
CH3SC6H4COCH3
CAS Number:
Molecular Weight:
166.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
217-213-1
MDL number:
Assay:
97%
Quality Segment
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
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.
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This Item | |||
|---|---|---|---|
| description 97% | description 98% | description 99% | description 98 atom % D |
| assay 97% | assay 98% | assay 99% | assay - |
| Quality Level 100 | Quality Level 100 | Quality Level 100 | Quality Level 200 |
| mp 80-82 °C (lit.) | mp 87-90 °C (lit.) | mp 92-94 °C (lit.) | mp 14-18 °C (lit.) |
| functional group ketone, thioether | functional group ketone, fluoro, nitro | functional group ketone, fluoro | functional group - |
4-(Methylthio)acetophenone 1778-09-2 | - | - | - |
Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
dust mask type N95 (US), Eyeshields, Gloves
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