2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one

Base Information

• Chemical Name: 2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one
• CAS No.: 96222-32-1
• Molecular Formula: C9H8BrClO
• Molecular Weight: 247.519
• DSSTox Substance ID: DTXSID10580828

Synonyms:96222-32-1;2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one;SCHEMBL8388071;DTXSID10580828

Chemical Property of 2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.94471
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one

There total 2 articles about 2-Bromo-2-chloro-1-(4-methylphenyl)ethan-1-one 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: 73.0%

para-methylacetophenone (122-00-9) → 2-bromo-2-chloro-1-(p-tolyl)ethan-1-one (96222-32-1)

Guidance literature:

With hydrogenchloride; hydrogen bromide; dimethyl sulfoxide; In water; ethyl acetate; at 30 ℃; for 15h;

DOI:10.1055/s-0040-1707169

Reference yield:

→ 2-bromo-2-chloro-1-(p-tolyl)ethan-1-one (96222-32-1)

Guidance literature:

With chloroform; bromine;

Reference yield: 85.0%

2-bromo-2-chloro-1-(p-tolyl)ethan-1-one (96222-32-1) → p-methylphenacyl chloride (4209-24-9)

Guidance literature:

With water; 1-methyl-3-pentyl-1H-imidazolium tetrafluoroborate; at 125 ℃; for 0.0666667h; under 2585.74 Torr; microwave irradiation;

DOI:10.1016/j.tet.2006.10.035

upstream raw materials:

para-methylacetophenone

Downstream raw materials:

p-methylphenacyl chloride

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