2-Propanone, 1,3-bis(2-methylphenyl)-

Base Information

• Chemical Name: 2-Propanone, 1,3-bis(2-methylphenyl)-
• CAS No.: 23592-92-9
• Molecular Formula: C17H18O
• Molecular Weight: 238.329
• DSSTox Substance ID: DTXSID10453927
• Nikkaji Number: J1.557.451H
• Wikidata: Q82275223
• Mol file: 23592-92-9.mol

Synonyms:2-Propanone, 1,3-bis(2-methylphenyl)-;23592-92-9;Bis(2-methylbenzyl) ketone;SCHEMBL2935824;DTXSID10453927;AKOS010970379

Chemical Property of 2-Propanone, 1,3-bis(2-methylphenyl)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 238.135765193
• Heavy Atom Count: 18
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CC(=O)CC2=CC=CC=C2C

Technology Process of 2-Propanone, 1,3-bis(2-methylphenyl)-

There total 11 articles about 2-Propanone, 1,3-bis(2-methylphenyl)- 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: 84.0%

2,2-bis(2-methylbenzyl)-1,3-dithiane → 1,3-bis(2-methylphenyl)propan-3-one (23592-92-9)

Guidance literature:

With iodine; sodium hydrogencarbonate; In water; acetonitrile; at 0 ℃; for 1h;

DOI:10.1039/c7ob01455d

Reference yield: 71.0%

1-chloromethyl-2-methylbenzene (552-45-4) + carbonic acid dimethyl ester (616-38-6) → 1,3-bis(2-methylphenyl)propan-3-one (23592-92-9)

Guidance literature:

With samarium; copper(l) iodide; In tetrahydrofuran; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1039/d1cc00965f

Reference yield: 69.0%

carbon monoxide (201230-82-2) + 2-methylbenzyl bromide (89-92-9) → o-methylphenylacetic acid (644-36-0) + 1,2-bis(2-methylphenyl)ethane (952-80-7) + 1,3-bis(2-methylphenyl)propan-3-one (23592-92-9) + o-Tolyl-acetic acid 2-methyl-benzyl ester (80720-85-0)

Guidance literature:

iron pentacarbonyl; tetrabutylammonium sulfate; In sodium hydroxide; dichloromethane; at 25 ℃; for 24h; under 760 Torr;

DOI:10.1016/S0040-4039(00)88248-9

upstream raw materials:

carbon monoxide

2-methylbenzyl bromide

o-methylphenylacetic acid

1-chloromethyl-2-methylbenzene

Downstream raw materials:

2,6-bis(2-methylphenyl)-4-(2,4,6-triphenyl-1-pyridinio)phenolate

o-xylyl radical

C₉H₉O