1-(2-Fluorophenyl)-2-phenylethan-1-one

Base Information

• Chemical Name: 1-(2-Fluorophenyl)-2-phenylethan-1-one
• CAS No.: 77294-82-7
• Molecular Formula: C14H11FO
• Molecular Weight: 214.239
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30507113
• Wikidata: Q82363156
• Mol file: 77294-82-7.mol

Synonyms:77294-82-7;2'-FLUORO-2-PHENYLACETOPHENONE;1-(2-fluorophenyl)-2-phenylethan-1-one;1-(2-fluorophenyl)-2-phenylethanone;MFCD02260662;fluorodeoxy-benzoin;SCHEMBL1515749;DTXSID30507113;ZAKNRBRFLQSIBK-UHFFFAOYSA-N;AKOS010310804;CCG-313165;EN300-82834;Z734157714

Chemical Property of 1-(2-Fluorophenyl)-2-phenylethan-1-one

Chemical Property:

• Vapor Pressure: 0.000282mmHg at 25°C
• Boiling Point: 322.3°C at 760 mmHg
• Flash Point: 132.9°C
• PSA: 17.07000
• Density: 1.152g/cm³
• LogP: 3.25110
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.079393132
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

1-(2-fluorophenyl)-2-phenylethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2F

Technology Process of 1-(2-Fluorophenyl)-2-phenylethan-1-one

There total 8 articles about 1-(2-Fluorophenyl)-2-phenylethan-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: 89.0%

phenyldiazomethane (908094-04-2) + 2-Fluorobenzaldehyde (446-52-6) → 1-(2-fluorophenyl)-2-phenylethan-1-one (77294-82-7)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In toluene; at -78 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/ol9010932

Reference yield: 80.0%

bromobenzene (108-86-1,52753-63-6) + 2'-Fluoroacetophenone (445-27-2) → 1-(2-fluorophenyl)-2-phenylethan-1-one (77294-82-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; bis[2-(diphenylphosphino)phenyl] ether; sodium t-butanolate; In tetrahydrofuran; at 70 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201309114

Reference yield: 58.0%

benzyl bromide (100-39-0) + α-[(trimethylsilyl)oxy]-α-(o-fluorophenyl)acetonitrile (82128-76-5) → 1-(2-fluorophenyl)-2-phenylethan-1-one (77294-82-7)

Guidance literature:

benzyl bromide; α-[(trimethylsilyl)oxy]-α-(o-fluorophenyl)acetonitrile; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; for 24h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 0.5h;

DOI:10.1021/acs.jmedchem.9b00445

upstream raw materials:

diphenyl <(4-nitrophenyl)amino>(2-fluorophenyl)methanephosphonate

benzaldehyde

[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-(4-nitro-phenyl)-amine

2-Fluorobenzaldehyde

Downstream raw materials:

2-chlor-1-(2-fluorphenyl)-2-phenylethanon

1-(2-fluorophenyl)-2-phenyl-3-(3-methoxyphenyl)-1-propanone

4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrimidin-2(1H)-one