2-Bromo-1-(3,4-dichlorophenyl)propan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(3,4-dichlorophenyl)propan-1-one
• CAS No.: 87427-61-0
• Molecular Formula: C9H7BrCl2O
• Molecular Weight: 281.964
• DSSTox Substance ID: DTXSID40540753
• Mol file: 87427-61-0.mol

Synonyms:2-Bromo-1-(3,4-dichlorophenyl)propan-1-one;87427-61-0;2-bromo-3',4'-dichloropropiophenone;SCHEMBL633270;DTXSID40540753;YPKHWACIODYBCI-UHFFFAOYSA-N;AKOS009375470;2-bromo-(3',4'-dichlorophenyl)propan-1-one

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

Chemical Property:

• PSA: 17.07000
• LogP: 3.95950
• Solubility.: DCM, Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 279.90573
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)Br
• Uses: 2-Bromo-1-(3,4-dichlorophenyl)propan-1-one is an intermediate in the synthesis of analogues of Bupropion (B689625).

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

There total 4 articles about 2-Bromo-1-(3,4-dichlorophenyl)propan-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: 100.0%

1-(3,4-dichlorophenyl)propan-1-one (6582-42-9) → 2-bromo-1-(3',4'-dichlorophenyl)propan-1-one (87427-61-0)

Guidance literature:

1-(3,4-dichlorophenyl)propan-1-one; With bromine; In methanol; at 20 ℃; for 0.166667h;

With hydrogen bromide; In methanol; water; for 110h; Inert atmosphere;

DOI:10.1021/jm901189z

Reference yield: 80.0%

1,2-dichloro-benzene (95-50-1) + 2-Bromopropionyl chloride (7148-74-5) → 2-bromo-1-(3',4'-dichlorophenyl)propan-1-one (87427-61-0)

Guidance literature:

With aluminium trichloride; In various solvent(s); at 50 ℃; for 3h;

DOI:10.1021/jm00378a006

Reference yield:

1,2-dichloro-benzene (95-50-1) → 2-bromo-1-(3',4'-dichlorophenyl)propan-1-one (87427-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / dichloromethane / 0.17 h / 20 °C

1.2: 1 h / 0 °C

2.1: copper(ll) bromide / chloroform; ethyl acetate / 4 h / Reflux

With aluminum (III) chloride; copper(ll) bromide; In dichloromethane; chloroform; ethyl acetate; 1.2: Friedel-Crafts acylation;

DOI:10.1016/j.ejmech.2012.04.030

upstream raw materials:

1,2-dichloro-benzene

2-Bromopropionyl chloride

1-(3,4-dichlorophenyl)propan-1-one

Downstream raw materials:

2-(4-benzyl-5,6-dihydropyridin-1(2H)-yl)-1-(3,4-dichlorophenyl)propan-1-one

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