1-(2-Methylphenyl)propan-2-one

Base Information

• Chemical Name: 1-(2-Methylphenyl)propan-2-one
• CAS No.: 51052-00-7
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID20370131
• Nikkaji Number: J515.588F
• Wikidata: Q82157438
• Mol file: 51052-00-7.mol

Synonyms:51052-00-7;1-(o-Tolyl)propan-2-one;1-(2-methylphenyl)propan-2-one;2-methylphenylacetone;1-o-Tolyl-propan-2-one;(2-methyphenyl)acetone;alpha-methylphenylacetone;(2-methylphenyl)acetone;1-o-tolylpropan-2-one;(2-methyphenyl) acetone;2-(2-Oxopropyl)toluene;SCHEMBL782187;DTXSID20370131;2-methylphenylacetone, AldrichCPR;WRLPDLDAOMBERO-UHFFFAOYSA-N;1-(2-Methylphenyl)-propan-2-one;MFCD00210465;AKOS000215970;CS-0453135;EN300-93852;N12425;Z329711570

Chemical Property of 1-(2-Methylphenyl)propan-2-one

Chemical Property:

• Vapor Pressure: 0.0861mmHg at 25°C
• Refractive Index: 1.5185-1.5205
• Boiling Point: 225.5°Cat760mmHg
• Flash Point: 99.6°C
• PSA: 17.07000
• Density: 0.974g/cm³
• LogP: 2.12650
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

2-Tolylacetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-52
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(=O)C

Technology Process of 1-(2-Methylphenyl)propan-2-one

There total 34 articles about 1-(2-Methylphenyl)propan-2-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: 96.0%

2-methylchlorobenzene (95-49-8) + acetone (67-64-1) → 1-(2-methylphenyl)acetone (51052-00-7)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

Reference yield: 96.0%

1-methyl-2-(2-propenyl)-benzene (1587-04-8) → 1-(2-methylphenyl)acetone (51052-00-7)

Guidance literature:

With iron(III) sulfate; palladium(II) trifluoroacetate; sodium 2,2,2-trifluoroacetate; In water; acetonitrile; at 30 ℃; Inert atmosphere; Darkness;

DOI:10.1002/adsc.201900179

Reference yield: 91.0%

Isopropenyl acetate (108-22-5) + 2-methylphenyl bromide (95-46-5) → acetic acid methyl ester (79-20-9) + 1-(2-methylphenyl)acetone (51052-00-7)

Guidance literature:

dichlorobis(tri-O-tolylphosphine)palladium; In toluene; at 100 ℃; for 5h;

DOI:10.1246/cl.1982.939

upstream raw materials:

1-(o-methylphenyl)-1-cyanoacetone

methylzinc iodide

(o-tolyl)acetyl chloride

Isopropenyl acetate

Downstream raw materials:

1,2-bis(2-methylphenyl)ethane

2-hydroxy-2-methylindan

1-(2-methylphenyl)propan-2-amine

(R)-N-(1-(o-tolyl)propan-2-yl)acetamide