4'-Methylpropiophenone

Base Information

• Chemical Name: 4'-Methylpropiophenone
• CAS No.: 5337-93-9
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 29143990
• European Community (EC) Number: 226-267-5
• NSC Number: 852
• UNII: 8490C17WAB
• DSSTox Substance ID: DTXSID00201535
• Nikkaji Number: J30.886B
• Wikidata: Q27126638
• Metabolomics Workbench ID: 60561
• Mol file: 5337-93-9.mol

Synonyms:4'-Methylpropiophenone;5337-93-9;1-(p-tolyl)propan-1-one;4-Methylpropiophenone;p-Methylpropiophenone;1-(4-methylphenyl)propan-1-one;1-Propanone, 1-(4-methylphenyl)-;p-Tolyl ethyl ketone;p-methyl propiophenone;1-p-tolylpropan-1-one;MFCD00009312;1-p-Tolyl-propan-1-one;1-(4-METHYLPHENYL)-1-PROPANONE;NSC-852;8490C17WAB;EINECS 226-267-5;AI3-04217;NSC852;4''-Methylpropiophenone;Propiophenone, 4'-methyl-;SCHEMBL507067;UNII-8490C17WAB;4'-Methylpropiophenone, 95%;1-(4-methylphenyl)-1-propanon;CHEBI:59335;PATYHUUYADUHQS-UHFFFAOYSA-;DTXSID00201535;NSC 852;1-(4-methylphenyl)-propan-1-one;STL163482;AKOS000121491;CS-W017746;AC-10918;AS-14586;SY049111;A7776;FT-0619105;M0768;4'-Methylpropiophenone, 90%, technical grade;EN300-18061;D71258;4 inverted exclamation mark -Methylpropiophenone;J-650362;W-105742;Q27126638;Z57127564;4'-Methylpropiophenone, Vetec(TM) reagent grade, 96%;F0001-1381

Chemical Property of 4'-Methylpropiophenone

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.0423mmHg at 25°C
• Melting Point: 7.2 °C
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 238.5 °C at 760 mmHg
• Flash Point: 97.9 °C
• PSA: 17.07000
• Density: 0.963 g/cm³
• LogP: 2.58770
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Soluble in chloroform and hexane.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

98% ^*data from raw suppliers

4'-Methylpropiophenone >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)C
• Uses: 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. 4′-Methylpropiophenone is a chemical reagent used in electrocarboxylation reactions.

Technology Process of 4'-Methylpropiophenone

There total 82 articles about 4'-Methylpropiophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-(4-methylphenyl)-2-propen-1-ol (58824-48-9) → 4'-methylpropiophenone (5337-93-9)

Guidance literature:

With [Ru(η(3):η(3)-C10H16)Cl(O2CCH3)]; In aq. phosphate buffer; at 50 ℃; for 5h; pH=7; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201601840

Reference yield: 99.0%

1-p-tolyl-1-propanol (25574-04-3) → 4'-methylpropiophenone (5337-93-9)

Guidance literature:

With potassium hexafluorophosphate; tert.-butylnitrite; 9-azabicyclo<3.3.1>nonane-N-oxyl; oxygen; In water; at 60 ℃; for 4.5h; under 2250.23 Torr; Autoclave; Green chemistry;

DOI:10.1016/j.tetlet.2017.01.012

Reference yield: 98.0%

C11H16O → 4'-methylpropiophenone (5337-93-9)

Guidance literature:

With dihydrogen peroxide; bromine; In dichloromethane; water; at 20 ℃; for 24h;

upstream raw materials:

2-methylpropiophenone

1-p-tolyl-1-propanol

propionyl chloride

toluene

Downstream raw materials:

3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

3-methyl-2-(p-tolyl)-1H-indole

2-amino-4-(4’-methylphenyl)-5-methyl-1,3-thiazole

1-p-methylphenyl-2,3-dimethyl-2-buten-1-one

Refernces

• 1、 Liu, Hui,Lu, Chong-Dao,Yao, Yun,Yisimayili, Nuermaimaiti. "α-Hydroxylation of α,α-Disubstituted N-tert-Butanesulfinyl Ketimines with Molecular Oxygen: Stereoselective Synthesis of α-Tertiary Hydroxyimines". supporting information. . Retrieved 2022/01/20.
• 2、 Elorriaga, David,García-álvarez, Joaquín,González-Sabín, Javier,Hevia, Eva,Morís, Francisco,Presa Soto, Alejandro,Ríos-Lombardía, Nicolás,Rodríguez-álvarez, María Jesús. "Combination of organocatalytic oxidation of alcohols and organolithium chemistry (RLi) in aqueous media, at room temperature and under aerobic conditions". supporting information. p. 8932 - 8935. Retrieved 2020/08/17.