1-(4-Bromo-2,5-difluorophenyl)ethanone

Base Information

• Chemical Name: 1-(4-Bromo-2,5-difluorophenyl)ethanone
• CAS No.: 123942-11-0
• Molecular Formula: C₈H₅BrF₂O
• Molecular Weight: 235.028
• Hs Code.: 2914790090
• European Community (EC) Number: 816-706-4
• Nikkaji Number: J686.926B
• Mol file: 123942-11-0.mol

Synonyms:123942-11-0;1-(4-BROMO-2,5-DIFLUOROPHENYL)ETHANONE;4'-bromo-2',5'-difluoroacetophenone;4-bromo-2,5-difluoroacetophenone;1-(4-BROMO-2,5-DIFLUOROPHENYL)ETHAN-1-ONE;MFCD15526896;SCHEMBL4949499;JPTNTBSBJPCXGI-UHFFFAOYSA-N;YEA94211;AKOS013532620;AC-9435;4'-bromo-2 ',5'-difluoroacetophenone;PS-10134;CS-0443212;EN300-299860;Z1203660544

Chemical Property of 1-(4-Bromo-2,5-difluorophenyl)ethanone

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 233.94918
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

4''-Bromo-2'',5''-difluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1F)Br)F

Technology Process of 1-(4-Bromo-2,5-difluorophenyl)ethanone

There total 4 articles about 1-(4-Bromo-2,5-difluorophenyl)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: 76.0%

2-bromo-1,4-difluorobenzene (399-94-0) + acetyl chloride (75-36-5) → 4'-bromo-2 ',5'-difluoroacetophenone (123942-11-0)

Guidance literature:

With aluminium trichloride; at 95 ℃; for 1.5h;

DOI:10.1021/jm00014a005

Reference yield: 45.9%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 1,4-dibromo-2,5-difluorobenzene (327-51-5) → 4'-bromo-2 ',5'-difluoroacetophenone (123942-11-0)

Guidance literature:

1,4-dibromo-2,5-difluorobenzene; With n-butyllithium; In toluene; at -78 - -50 ℃;

N,N-dimethyl acetamide; In toluene; at -78 - 20 ℃; for 4h;

Reference yield:

methylmagnesium bromide (75-16-1) + 4-bromo-2,5-difluoro-N-methoxy-N-methylbenzamide → 4'-bromo-2 ',5'-difluoroacetophenone (123942-11-0)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

2-bromo-1,4-difluorobenzene

acetyl chloride

N,N-dimethyl acetamide

1,4-dibromo-2,5-difluorobenzene

Downstream raw materials:

ethyl 3-(4-bromo-2,5-difluorophenyl)-3-oxopropanoate

benzyl 2-aminoethyl(1-(4-bromo-2,5-difluorophenyl)ethyl)carbamate 2,2,2-trifluoroacetate

tert-butyl 4-(2-((benzyloxycarbonyl)(1-(4-bromo-2,5-difluorophenyl)ethyl)amino)ethylamino)piperidine-1-carboxylate

tert-butyl 4-(2-((benzyloxycarbonyl)(1-(2,5-difluoro-4-(methylsulfonyl)phenyl)ethyl)amino)ethylamino)piperidine-1-carboxylate

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