1-(2-Bromophenyl)-2-fluoroethanone

Base Information

• Chemical Name: 1-(2-Bromophenyl)-2-fluoroethanone
• CAS No.: 135774-34-4
• Molecular Formula: C8H6BrFO
• Molecular Weight: 217.037
• Hs Code.: 2914700090
• European Community (EC) Number: 819-226-3
• DSSTox Substance ID: DTXSID50568105
• Nikkaji Number: J3.299.667A
• Wikidata: Q82454263
• Mol file: 135774-34-4.mol

Synonyms:1-(2-Bromophenyl)-2-fluoroethanone;135774-34-4;Ethanone, 1-(2-bromophenyl)-2-fluoro- (9CI);1-(2-Bromophenyl)-2-fluoroethan-1-one;SCHEMBL12430466;DTXSID50568105;EN300-1620641

Chemical Property of 1-(2-Bromophenyl)-2-fluoroethanone

Chemical Property:

• Boiling Point: 271.0±20.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.521±0.06 g/cm3(Predicted)
• LogP: 2.60130
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Bromophenyl)-2-fluoroethanone

There total 8 articles about 1-(2-Bromophenyl)-2-fluoroethanone 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: 88.0%

2-bromophenyl methyl ketone (2142-69-0) → o-bromo-α-fluoroacetophenone (135774-34-4)

Guidance literature:

With sulfuric acid; Selectfluor; In methanol; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2018.04.009

Reference yield: 83.0%

2,2'-dibromoacetophenone (49851-55-0) → o-bromo-α-fluoroacetophenone (135774-34-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In water; at 100 ℃; for 0.333333h;

DOI:10.1016/j.jfluchem.2013.08.006

Reference yield: 82.0%

2-bromo-1-ethynylbenzene (766-46-1) → o-bromo-α-fluoroacetophenone (135774-34-4)

Guidance literature:

With 8-methylquinoline 1-oxide; [(1,1′-biphenyl-2-yl)di-tert-butylphosphine]gold(I) bis(trifluoromethanesulfonyl)imide; pyridine hydrogenfluoride; In dichloromethane; at 20 ℃; under 760.051 Torr;

DOI:10.1002/anie.201603914

upstream raw materials:

2,2'-dibromoacetophenone

2-bromostyrene

2-bromo-1-ethynylbenzene

1-(1-azidovinyl)-2-bromobenzene

Downstream raw materials:

2-fluoroacetophenone

2-bromophenyl methyl ketone