1-Bromo-3-(4-chlorophenyl)propan-2-one

Base Information

• Chemical Name: 1-Bromo-3-(4-chlorophenyl)propan-2-one
• CAS No.: 103557-35-3
• Molecular Formula: C9H8BrClO
• Molecular Weight: 247.519
• European Community (EC) Number: 853-090-6
• Mol file: 103557-35-3.mol

Synonyms:1-BROMO-3-(4-CHLOROPHENYL)PROPAN-2-ONE;103557-35-3;SCHEMBL622333;GLUIQHUZOIOCAA-UHFFFAOYSA-N;MFCD11847556;AKOS017561576;AB92148;1-bromo-3-(4-chloro-phenyl)-propan-2-one;CS-0440119;EN300-258427;A1-10624

Chemical Property of 1-Bromo-3-(4-chlorophenyl)propan-2-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.84650
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 245.94471
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-3-(4-chlorophenyl)propan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)CBr)Cl

Technology Process of 1-Bromo-3-(4-chlorophenyl)propan-2-one

There total 3 articles about 1-Bromo-3-(4-chlorophenyl)propan-2-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:

1-(4-chlorophenyl)-3-diazo-propan-2-one (21443-38-9) → 1-bromo-3-(4-chlorophenyl)acetone (103557-35-3)

Guidance literature:

With hydrogen bromide; In diethyl ether; at 70 - 80 ℃; for 1h;

DOI:10.1016/j.bmc.2003.08.034

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 1-bromo-3-(4-chlorophenyl)acetone (103557-35-3)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / benzene / 1 h / Heating

2: diethyl ether / 1 h / 20 °C

3: 0.63 g / aq. HBr / diethyl ether / 1 h / 70 - 80 °C

With thionyl chloride; hydrogen bromide; In diethyl ether; benzene;

DOI:10.1016/j.bmc.2003.08.034

Reference yield:

4-chlorophenacetyl chloride (25026-34-0) → 1-bromo-3-(4-chlorophenyl)acetone (103557-35-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 1 h / 20 °C

2: 0.63 g / aq. HBr / diethyl ether / 1 h / 70 - 80 °C

With hydrogen bromide; In diethyl ether;

DOI:10.1016/j.bmc.2003.08.034

upstream raw materials:

1-(4-chlorophenyl)-3-diazo-propan-2-one

4-chlorophenylacetic Acid

4-chlorophenacetyl chloride

Downstream raw materials:

2-amino-4-oxo-6-(4-chlorobenzyl)-3,7-dihydropyrrolo[2,3-d]pyrimidine

2-amino-4-chloro-6-(4-chlorobenzyl)-pyrrolo[2,3-d]pyrimidine

ethyl 2-(4-chlorophenyl)-3-oxobutanoate

1-(4-chlorophenyl)propan-2-one

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