2-(3-Fluorophenyl)-1-phenylethanone

Base Information

• Chemical Name: 2-(3-Fluorophenyl)-1-phenylethanone
• CAS No.: 347-90-0
• Molecular Formula: C₁₄H₁₁FO
• Molecular Weight: 214.239
• DSSTox Substance ID: DTXSID00374637
• Nikkaji Number: J2.936.978J
• Wikidata: Q82163238
• Mol file: 347-90-0.mol

Synonyms:2-(3-fluorophenyl)-1-phenylethanone;347-90-0;2-(3-Fluorophenyl)acetophenone;2-(3-fluoro-phenyl)-1-phenyl-ethanone;3'-Fluorodeoxybenzoin;3-fluorophenylacetophenone;SCHEMBL570730;DTXSID00374637;UQGKOVXIHKXNPZ-UHFFFAOYSA-N;MFCD02260683;AKOS009338702;2-(3-fluorophenyl)-1-phenylethan-1-one;A874861

Chemical Property of 2-(3-Fluorophenyl)-1-phenylethanone

Chemical Property:

• Vapor Pressure: 0.000344mmHg at 25°C
• Boiling Point: 319.2±17.0 °C(Predicted)
• Density: 1.152±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

2-(3-Fluorophenyl)acetophenone 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC2=CC(=CC=C2)F

Technology Process of 2-(3-Fluorophenyl)-1-phenylethanone

There total 8 articles about 2-(3-Fluorophenyl)-1-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: 87.0%

(3-fluorobenzyl)zinc(II) bromide + benzoyl chloride (98-88-4) → 2-(3-fluorophenyl)-1-phenylethan-1-one (347-90-0)

Guidance literature:

With bis(acetylacetonate)nickel(II); In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2011.01.135

Reference yield: 87.0%

1-azidostyrene (16717-64-9) + m-fluorophenylhydrazine (658-27-5) → 2-(3-fluorophenyl)-1-phenylethan-1-one (347-90-0)

Guidance literature:

With water; dihydrogen peroxide; at 25 ℃; Green chemistry;

DOI:10.1039/d1ob02023d

Reference yield: 81.0%

m-Fluorotoluene (352-70-5) + Benzoylformic acid (611-73-4) → 2-(3-fluorophenyl)-1-phenylethan-1-one (347-90-0)

Guidance literature:

With tris(triphenylphosphine)ruthenium(II) chloride; di-tert-butyl peroxide; at 120 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.202100432

upstream raw materials:

benzoyl chloride

styrene

m-fluorophenylhydrazine

3-fluorophenylacetonitrile

Downstream raw materials:

1-(3-fluorophenyl)-2-phenylethane-1,2-dione

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