Phenyl(2,3,4,6-tetramethylphenyl)methanone

Base Information

• Chemical Name: Phenyl(2,3,4,6-tetramethylphenyl)methanone
• CAS No.: 64357-71-7
• Molecular Formula: C17H18O
• Molecular Weight: 238.329
• DSSTox Substance ID: DTXSID70554525
• Nikkaji Number: J372.379H
• Wikidata: Q82435559

Synonyms:64357-71-7;Phenyl(2,3,4,6-tetramethylphenyl)methanone;DTXSID70554525

Chemical Property of Phenyl(2,3,4,6-tetramethylphenyl)methanone

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.135765193
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C)C(=O)C2=CC=CC=C2)C

Technology Process of Phenyl(2,3,4,6-tetramethylphenyl)methanone

There total 4 articles about Phenyl(2,3,4,6-tetramethylphenyl)methanone 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%

1,2,3,5-Tetramethylbenzene (527-53-7) + benzoic acid (65-85-0,8013-63-6) → 1-benzoyl-2,3,4,6-tetramethylbenzene (64357-71-7)

Guidance literature:

With pyridin-2-yl trifluoromethanesulfonate; trifluoroacetic acid; for 5h; Heating;

DOI:10.1246/bcsj.61.455

Reference yield: 85.0%

Benzoyl bromide (618-32-6) + 1,2,3,5-Tetramethylbenzene (527-53-7) → 1-benzoyl-2,3,4,6-tetramethylbenzene (64357-71-7)

Guidance literature:

With pyrographite; In benzene; for 3h; Heating;

DOI:10.1039/a703947f

Reference yield:

1-(2,3,4,6-tetramethyl-phenyl)-ethanone (2142-78-1) + benzoyl chloride (98-88-4) → 1-benzoyl-2,3,4,6-tetramethylbenzene (64357-71-7) + 1-acetyl-5-benzoyl-2,3,4,6-tetramethylbenzene

Guidance literature:

With aluminium trichloride; In nitromethane; at 50 ℃; for 24h;

DOI:10.1246/bcsj.67.757

upstream raw materials:

1,2,3,5-Tetramethylbenzene

benzoyl chloride

1-(2,3,4,6-tetramethyl-phenyl)-ethanone

benzoic acid

Downstream raw materials:

1-phenyl-1-(2,3,4,6-tetramethyl-phenyl)-ethene

1-acetyl-2-(nitrooxymethyl)-4,5,6-trimethylbenzene

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