Methanone, (2,5-dimethylphenyl)(4-methylphenyl)-

Base Information

• Chemical Name: Methanone, (2,5-dimethylphenyl)(4-methylphenyl)-
• CAS No.: 13152-96-0
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• DSSTox Substance ID: DTXSID60402647
• Nikkaji Number: J1.951.255J
• Wikidata: Q82206081
• Mol file: 13152-96-0.mol

Synonyms:2,5,4'-trimethylbenzophenone;2,4',5-Trimethylbenzophenone;Methanone, (2,5-dimethylphenyl)(4-methylphenyl)-;13152-96-0;SCHEMBL9782367;DTXSID60402647;IACYWJSRXRRLQO-UHFFFAOYSA-N;AKOS003247387;(2,5-dimethylphenyl)(p-tolyl)methanone;(2,5-Dimethyl-phenyl)-p-tolyl-methanone

Chemical Property of Methanone, (2,5-dimethylphenyl)(4-methylphenyl)-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C)C

Technology Process of Methanone, (2,5-dimethylphenyl)(4-methylphenyl)-

There total 16 articles about Methanone, (2,5-dimethylphenyl)(4-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: 98.0%

para-xylene (106-42-3) + 4-methyl-benzoyl chloride (874-60-2) → (2,5-dimethylphenyl)(p-tolyl)methanone (13152-96-0)

Guidance literature:

With copper(II) ferrite; In neat (no solvent); at 80 ℃; for 18h;

DOI:10.1016/j.tetlet.2013.01.081

Reference yield: 88.0%

carbon monoxide (201230-82-2) + para-xylene (106-42-3) + 4-tolyl iodide (624-31-7) → (2,5-dimethylphenyl)(p-tolyl)methanone (13152-96-0)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 80 ℃; for 24h; under 3040.2 Torr; Inert atmosphere; Sealed tube; Glovebox; Schlenk technique; Green chemistry;

DOI:10.1038/NCHEM.2903

Reference yield: 76.0%

para-xylene (106-42-3) + p-Toluic acid (99-94-5) → (2,5-dimethylphenyl)(p-tolyl)methanone (13152-96-0)

Guidance literature:

With europium(III) bis(trifluoromethylsulfonyl)imide; at 250 ℃; for 13h;

DOI:10.1016/j.tetlet.2003.08.099

upstream raw materials:

2-chloro-1,4-dimethyl-benzene

3-chloro-4-methyl-benzoyl chloride

para-xylene

4-methyl-benzoyl chloride

Downstream raw materials:

2,6-dimethylanthracene

2,6-dimethyl-anthrone

9,10-dihydro-anthracene-2,6-dicarboxylic acid

2,6-anthracene dicarboxylic acid

Refernces

• 1、 Kinney, R. Garrison,Tjutrins, Jevgenijs,Torres, Gerardo M.,Liu, Nina Jiabao,Kulkarni, Omkar,Arndtsen, Bruce A.. "A general approach to intermolecular carbonylation of arene C-H bonds to ketones through catalytic aroyl triflate formation". . p. 193 - 199. Retrieved 2018/02/06.
• 2、 Parella, Ramarao,Naveen,Kumar, Amit,Babu, Srinivasarao Arulananda. "Catalytic Friedel-Crafts acylation: Magnetic nanopowder CuFe 2O4 as an efficient and magnetically separable catalyst". . p. 1738 - 1742. Retrieved 2013/03/28.