ChemicalBook--->CAS DataBase List--->1778-09-2

1778-09-2

1778-09-2 Structure

1778-09-2 Structure
IdentificationMore
[Name]

4'-Methylthioacetophenone
[CAS]

1778-09-2
[Synonyms]

1-[4-(METHYLSULFANYL)PHENYL]ETHANONE
1-[4-(methylthio)phenyl]ethan-1-one
1-[4-(METHYLTHIO)PHENYL]ETHANONE
4-(ACETYL)THIOANISOLE
4-METHYLMERCAPTOACETOPHENONE
4'-(METHYLTHIO)ACETOPHENONE
4-(METHYLTHIO)ACETOPHENONE
P-(METHYLTHIO)ACETOPHENONE
Ethanone, 1-[4-(methylthio)phenyl]-
4-(Methyl thio)
Ethanone,1-[4-(methylthio)
4-(METHYLTHIO)ACETOPHENONE 99%
4-THIOMETHYLACETOPHENONE
Dodecane-1-sulfonyl chloride
1-Acetyl-4-(methylthio)benzene
Methyl 4-acetylphenyl sulfide
Methyl(4-acetylphenyl) sulfide
p-Acetylthioanisole
[EINECS(EC#)]

217-213-1
[Molecular Formula]

C9H10S
[MDL Number]

MFCD00039835
[Molecular Weight]

150.24
[MOL File]

1778-09-2.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powde
[Melting point ]

80-82 °C(lit.)
[Boiling point ]

135 °C
[density ]

1.1369 (rough estimate)
[refractive index ]

1.5600 (estimate)
[Fp ]

135°C/1mm
[storage temp. ]

Sealed in dry,Room Temperature
[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]

1778-09-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29309099
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-[4-(Methylthio)phenyl]ethan-1-one(1778-09-2).msds
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powde
[Uses]

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.
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Methylthioacetophenone(1778-09-2)1HNMR
4'-Methylthioacetophenone(1778-09-2)FT-IR
4'-Methylthioacetophenone(1778-09-2)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4'-(Methylthio)acetophenone,97%(1778-09-2)
[Alfa Aesar]

4'-(Methylthio)acetophenone, 99%(1778-09-2)
[Sigma Aldrich]

1778-09-2(sigmaaldrich)
[TCI AMERICA]

4'-(Methylthio)acetophenone,>97.0%(GC)(1778-09-2)
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