1-(2,4-Dimethylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(2,4-Dimethylphenyl)propan-1-one
• CAS No.: 35031-55-1
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID801310078
• Wikidata: Q104375434
• Mol file: 35031-55-1.mol

Synonyms:1-(2,4-dimethylphenyl)propan-1-one;35031-55-1;2-4-dimethylpropiophenone;1-Propanone, 1-(2,4-dimethylphenyl)-;1-(2,4-Dimethyl-phenyl)-propan-1-one;2',4'-Dimethylpropiophenone;MFCD01993683;2,4-Dimethylpropiophenone;ethyleneglycoldiglycidylether;SCHEMBL581464;DTXSID801310078;STK397401;2,5-DimethylphenylA currencythylketon;1-(2,4-Dimethylphenyl)-1-propanone;AKOS000152920;1-(2,4-dimethylphenyl) propan-1-one;1-(2,4-Dimethylphenyl)-1-propanone #;BS-37802;CS-0316128;FT-0690599;N12084

Chemical Property of 1-(2,4-Dimethylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 249.7°C at 760 mmHg
• Flash Point: 98.7°C
• PSA: 17.07000
• Density: 0.954g/cm³
• LogP: 2.89610
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-dimethylphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)C)C

Technology Process of 1-(2,4-Dimethylphenyl)propan-1-one

There total 7 articles about 1-(2,4-Dimethylphenyl)propan-1-one 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: 83.0%

propionic acid anhydride (123-62-6) + m-xylene (108-38-3,104809-90-7) → 1-(2,4-dimethyl-phenyl)-propan-1-one (35031-55-1)

Guidance literature:

With hafnium(IV) trifluoromethanesulfonate; lithium perchlorate; In nitromethane; for 6h; Ambient temperature;

DOI:10.1246/bcsj.68.2053

Reference yield: 67.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2,4-dimethylacetophenone. (89-74-7) → 1-(2,4-dimethyl-phenyl)-propan-1-one (35031-55-1)

Guidance literature:

With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; In water; at 110 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol403040g

Reference yield: 64.0%

propionic acid anhydride (123-62-6) + m-xylene (108-38-3,104809-90-7) → 1-(2,4-dimethyl-phenyl)-propan-1-one (35031-55-1) + 1-(2,6-dimethylphenyl)-1-propanone (35031-56-2) + propionic acid (802294-64-0,79-09-4)

Guidance literature:

With Cl^(1-)*C₅H₁₄NO⁽¹⁺⁾*3ZnCl₂; at 140 ℃; for 0.166667h; Microwave irradiation; Green chemistry;

DOI:10.1039/c6ra03551e

upstream raw materials:

propionyl chloride

m-xylene

propionic acid anhydride

hydrogenchloride

Downstream raw materials:

2,4-dimethyl-1-propyl-benzene

2-bromo-1-(2,4-dimethyl-phenyl)-propan-1-one

5-(2,4-dimethylphenyl)-3H-1,2-dithio-3-thione

1-(2,4-Dimethylphenyl)-propan-1,2-dion