2-Bromo-1-(4-fluorophenyl)-2-phenylethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone
• CAS No.: 88675-31-4
• Molecular Formula: C14H10 Br F O
• Molecular Weight: 293.135
• Hs Code.: 2914700090
• UNII: ZX6XK327KF
• DSSTox Substance ID: DTXSID20461735
• Mol file: 88675-31-4.mol

Synonyms:2-Bromo-1-(4-fluorophenyl)-2-phenylethanone;88675-31-4;2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one;Ethanone, 2-bromo-1-(4-fluorophenyl)-2-phenyl-;2-Bromo-2-phenyl-1-(4-fluorophenyl)-ethanone;ZX6XK327KF;SCHEMBL682581;2-BROMO-2-PHENYL-1-(gamma-FLUOROPHENYL)-ETHANONE;DTXSID20461735;DYTDDALWSRMTDA-UHFFFAOYSA-N;MFCD00699290;AKOS015901677;AM85946;DS-15359;CS-0199675;2-Bromo-2-phenyl-1-(4-fluorophenyl)ethanone

Chemical Property of 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone

Chemical Property:

• Boiling Point: 356.4±27.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.467±0.06 g/cm3(Predicted)
• LogP: 4.14460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 291.98991
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromo-1-(4-fluorophenyl)-2-phenylethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br

Technology Process of 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone

There total 8 articles about 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone 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%

→ 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one (88675-31-4)

Guidance literature:

Reference yield: 96.0%

1-(4-fluorophenyl)-2-phenylethanone (347-84-2) → 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one (88675-31-4)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; In chloroform; at 20 ℃;

DOI:10.1021/jm500483b

Reference yield:

phenylacetyl chloride (103-80-0) → 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one (88675-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / -10 - 0 °C / Inert atmosphere

2: bromine; hydrogen bromide; acetic acid / dichloromethane / 26 °C

With aluminum (III) chloride; hydrogen bromide; bromine; acetic acid; In dichloromethane; 1: Friedel Crafts Acylation;

upstream raw materials:

1-(4-fluorophenyl)-2-phenylethanone

fluorobenzene

phenylacetyl chloride

phenylacetic acid

Downstream raw materials:

1-(4-Fluoro-phenyl)-2-phenyl-2-piperidin-1-yl-ethanone

2-Azepan-1-yl-1-(4-fluoro-phenyl)-2-phenyl-ethanone

4-(4-fluorophenyl)-5-phenyl-2-thiazolehexanoic acid ethyl ester

2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide