4-Tert-butyl-2'-methylbenzophenone

Base Information

• Chemical Name: 4-Tert-butyl-2'-methylbenzophenone
• CAS No.: 14252-16-5
• Molecular Formula: C18H20O
• Molecular Weight: 252.35100
• DSSTox Substance ID: DTXSID50479500
• Nikkaji Number: J1.836.263E
• Wikidata: Q82313574
• Mol file: 14252-16-5.mol

Synonyms:4-TERT-BUTYL-2'-METHYLBENZOPHENONE;14252-16-5;(4-tert-butylphenyl)-(2-methylphenyl)methanone;MFCD09801665;4-Tert-butyl-2/'-methylbenzophenone;SCHEMBL10445015;DTXSID50479500;AKOS005925132;(4-tert-Butyl-phenyl)-o-tolyl-methanone

Chemical Property of 4-Tert-butyl-2'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 6.36E-05mmHg at 25°C
• PSA: 17.07000
• LogP: 4.52350
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 252.151415257
• Heavy Atom Count: 19
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

4-tert-Butyl-2'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Tert-butyl-2'-methylbenzophenone

There total 7 articles about 4-Tert-butyl-2'-methylbenzophenone 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: 90.0%

ortho-methylphenyl iodide (615-37-2) + carbon monoxide (201230-82-2) + potassium (4-tert-butyl)phenyltrifluoroborate → (4-(tert-butyl)phenyl)(o-tolyl)methanone (14252-16-5)

Guidance literature:

With sodium carbonate; Trimethylacetic acid; at 100 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c5cc01968k

Reference yield: 79.0%

1-(4-(tert-butyl) benzyl)-2-methylbenzene (70663-11-5) → (4-(tert-butyl)phenyl)(o-tolyl)methanone (14252-16-5)

Guidance literature:

With cercosporin; oxygen; potassium bromide; In methanol; at 20 ℃; chemoselective reaction; Irradiation; Schlenk technique; Green chemistry;

DOI:10.1039/c9gc02270h

Reference yield: 68.0%

carbon monoxide (201230-82-2) + 2-Methylphenylboronic acid (16419-60-6) + (4-tert-butylphenyl)diazonium tetrafluoroborate (52436-75-6) → (4-(tert-butyl)phenyl)(o-tolyl)methanone (14252-16-5) + 2-methyl-4'-tert-butylbiphenyl

Guidance literature:

With palladium diacetate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In 1,4-dioxane; at 100 ℃; for 5h; under 760 Torr;

DOI:10.1016/S0040-4039(02)02186-X

upstream raw materials:

2-methylphenyl bromide

p-tert-butyl benzoyl chloride

carbon monoxide

2-Methylphenylboronic acid

Downstream raw materials:

1-(4-tert-butylphenyl)naphthalene-2,3-dicarboxylic acid imide

4-(4-tert-butyl-phenyl)-2-phenyl-benzo[f]isoindole-1,3-dione

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