2-Bromo-1,2-bis(4-methylphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1,2-bis(4-methylphenyl)ethanone
• CAS No.: 57297-30-0
• Molecular Formula: C16H15BrO
• Molecular Weight: 303.198
• DSSTox Substance ID: DTXSID201279086
• Nikkaji Number: J1.829.540G
• Mol file: 57297-30-0.mol

Synonyms:DTXSID201279086;57297-30-0;2-Bromo-1,2-bis(4-methylphenyl)ethanone

Chemical Property of 2-Bromo-1,2-bis(4-methylphenyl)ethanone

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 302.03063
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-1,2-bis(4-methylphenyl)ethanone

There total 5 articles about 2-Bromo-1,2-bis(4-methylphenyl)ethanone 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: 91.0%

1,2-di-p-tolyl-ethanone (51490-06-3) → 2-bromo-1,2-bis(4-methylphenyl)ethanone (57297-30-0)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In chloroform; at 20 ℃;

DOI:10.1021/jm500483b

Reference yield: 41.0%

4,4'-dimethylbenzoin (1218-89-9) → 1,2-di-p-tolyl-ethanone (51490-06-3) + 1,2-di(4-methylphenyl)-1,2-ethanedione (3457-48-5) + 2-bromo-1,2-bis(4-methylphenyl)ethanone (57297-30-0)

Guidance literature:

With triethylamine; dibromotriphenylphosphorane; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1080/10426509808045488

Reference yield:

4-methylphenylacetyl chloride (35675-44-6) → 2-bromo-1,2-bis(4-methylphenyl)ethanone (57297-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / 14.25 h / 20 - 50 °C / Cooling with ice; Inert atmosphere

2: hydrogen bromide; acetic acid; bromine / chloroform / 20 °C

With aluminum (III) chloride; hydrogen bromide; bromine; acetic acid; In chloroform; 1: |Friedel-Crafts Acylation;

DOI:10.1021/jm500483b

upstream raw materials:

4,4'-dimethylbenzoin

1,2-di-p-tolyl-ethanone

4-methylphenylacetyl chloride

4-tolylacetic acid