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ChemicalBook--->CAS DataBase List--->5337-93-9

5337-93-9

5337-93-9 Structure

5337-93-9 Structure
IdentificationMore
[Name]

4'-Methylpropiophenone
[CAS]

5337-93-9
[Synonyms]

4'-METHYLPROPIOPHENONE
4-METHYLPROPIOPHENONE
ETHYL-P-TOLYLKETON
LABOTEST-BB LT00053050
P-METHYLPROPIOPHENONE
P-TOLYL ETHYL KETONE
1-(4-methylphenyl)-1-propanon
1-(4-Methylphenyl)-1-propanone
1-(4-Methylphenyl)1-propanone
1-(4-methylphenyl)-propan-1-one
1-Propanone, 1-(4-methylphenyl)-
4-Toluylethane
Ethylp-tolylketone
p-Propionyltoluene
Propiophenone, 4'-methyl-
P-Methyl phenylethylketone
4'-METHYLPROPIOPHENONE, TECH, 90%
4'-Methylpropiophenone, 95+%
4'-Methylpropiophenone,94%
1-(4-METHYYLPHENYL)-1-PROPANONE
[EINECS(EC#)]

226-267-5
[Molecular Formula]

C10H12O
[MDL Number]

MFCD00009312
[Molecular Weight]

148.2
[MOL File]

5337-93-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Melting point ]

7.2 °C
[Boiling point ]

238-239 °C(lit.)
[density ]

0.993 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.528(lit.)
[Fp ]

229 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in chloroform and hexane.
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

0.99
[BRN ]

2042137
[InChI]

InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
[InChIKey]

PATYHUUYADUHQS-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(C)C=C1)(=O)CC
[CAS DataBase Reference]

5337-93-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29143990
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Tolperisone hydrochloride-->ETHYL-O-TOLYL KETONE-->3-nitro-4-methylpropiophenone-->2-Pentenoic acid, 3-(4-methylphenyl)--->2-Chloro-1-(4-methylphenyl)-1-propanone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4'-Methylpropiophenone(5337-93-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid
[Uses]

4′-Methylpropiophenone can be used as a building block to synthesize:
N-(4-Chlorophenyl)-N′-[1-(4-methylphenyl)propyl]urea as a potential CRAC channel inhibitor.
Mono and trinuclear cobaloxime/organocobaloxime complexes, which are used as efficient catalysts for the synthesis of cyclic carbonates.
Tolperisone (TOL) via acid-catalyzed reaction with piperidine hydrochloride and 1,2-dioxolane.
[Uses]

4-Methylpropiophenone is a chemical reagent with an aromatic ketone that is propiophenone bearing a methyl group at C-4. It serves as pharmaceutical and synthesis material intermediate, and it is also used in electrocarboxylation reactions.
4'-methylpropiophenone has been reported to be used in the synthesis of pharmaceutical compounds such as tolperisone and other muscle relaxants. The substance is also a starting material in the synthesis of 4-methylmethcathinone (mephedrone). Mephedrone has been encountered as a ‘legal high’ and on the illicit drug market masquerading as cocaine (in powder form), MDMA (in tablet form) and as an adulterant. According to the 2016 European Drugs Market Report produced by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA), mephedrone has created a specific demand and carved its own distinct market share.
[Application]

4′-Methylpropiophenone can be used as a building block to synthesize:
N-(4-Chlorophenyl)-N′-[1-(4-methylphenyl)propyl]urea as a potential CRAC channel inhibitor.
Mono and trinuclear cobaloxime/organocobaloxime complexes, which are used as efficient catalysts for the synthesis of cyclic carbonates.
Tolperisone (TOL) via acid-catalyzed reaction with piperidine hydrochloride and 1,2-dioxolane.
[Definition]

ChEBI: Propiophenone bearing a methyl group at C-4.
[Synthesis]

4'-Methylpropiophenone can be synthesized through various methods. One common approach involves the reaction of propiophenone with methylmagnesium bromide or methyl lithium in the presence of a catalyst. Another method utilizes Friedel-Crafts acylation, where propiophenone is acylated with methyl chloride or methyl bromide using a Lewis acid catalyst. These methods allow for the controlled introduction of the methyl group onto the phenyl ring.
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Methylpropiophenone(5337-93-9)MS
4'-Methylpropiophenone(5337-93-9)1HNMR
4'-Methylpropiophenone(5337-93-9)13CNMR
4'-Methylpropiophenone(5337-93-9)IR1
4'-Methylpropiophenone(5337-93-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

[Alfa Aesar]

[Sigma Aldrich]

5337-93-9(sigmaaldrich)
[TCI AMERICA]

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