1-(5-Bromo-2-chlorophenyl)ethanone

Base Information

• Chemical Name: 1-(5-Bromo-2-chlorophenyl)ethanone
• CAS No.: 105884-19-3
• Molecular Formula: C8H6 Br Cl O
• Molecular Weight: 233.492
• Hs Code.: 2914700090
• European Community (EC) Number: 877-130-7
• DSSTox Substance ID: DTXSID60545386
• Wikidata: Q72453267
• Mol file: 105884-19-3.mol

Synonyms:105884-19-3;1-(5-Bromo-2-chlorophenyl)ethanone;5'-Bromo-2'-chloroacetophenone;5-Bromo-2-Chloroacetophenone;1-(5-Bromo-2-chlorophenyl)ethan-1-one;MFCD02683851;Ethanone, 1-(5-bromo-2-chlorophenyl)-;SCHEMBL1396978;DTXSID60545386;FVJMYXDLWAEIKP-UHFFFAOYSA-N;1-(5-bromo-2-chloro-phenyl)ethanone;AKOS015908164;PS-4842;1-(5-Bromo-2-chloro-phenyl)-ethanone;SY058986;CS-0041764;EN300-112059;5 inverted exclamation mark -Bromo-2 inverted exclamation mark -chloroacetophenone

Chemical Property of 1-(5-Bromo-2-chlorophenyl)ethanone

Chemical Property:

• Boiling Point: 260℃
• Flash Point: 111℃
• PSA: 17.07000
• Density: 1.566
• LogP: 3.30510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

5''-Bromo-2''-chloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(5-Bromo-2-chlorophenyl)ethanone

There total 4 articles about 1-(5-Bromo-2-chlorophenyl)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: 85.0%

1-(5-bromo-2-chlorophenyl)ethan-1-ol (749932-77-2) → 1-(2-bromo-5-chlorophenyl)ethan-1-one (105884-19-3)

Guidance literature:

1-(5-bromo-2-chlorophenyl)ethan-1-ol; With dipyridinium dichromate; In dichloromethane; for 39h;

With Celite; In dichloromethane; for 0.333333h;

Reference yield: 76.0%

5-bromo-2-chloro-N-methoxy-N-methyl-benzamide (842136-59-8) + methylmagnesium bromide (75-16-1) → 1-(2-bromo-5-chlorophenyl)ethan-1-one (105884-19-3)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield:

5-bromo-2-chlorobenzoic acid (21739-92-4) → 1-(2-bromo-5-chlorophenyl)ethan-1-one (105884-19-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 16 h / 20 °C

2: tetrahydrofuran / 16 h / 0 - 20 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide;

upstream raw materials:

1-(5-bromo-2-chlorophenyl)ethan-1-ol

5-bromo-2-chlorobenzoic acid

5-bromo-2-chloro-N-methoxy-N-methyl-benzamide

methylmagnesium bromide

Downstream raw materials:

4-bromo-1-chloro-2-ethyl-benzene

1-(5-bromo-2-chlorophenyl)ethan-1-ol

2-(5-bromo-2-chlorophenyl)-5-methylpyridine

1-[4-chloro-3-(5-methylpyridin-2-yl)-phenyl]piperidine-4-carboxylic acid ethyl ester