2-(4-Fluorophenyl)-2-oxoethyl acetate

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-2-oxoethyl acetate
• CAS No.: 366-78-9
• Molecular Formula: C10H9 F O3
• Molecular Weight: 196.178
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID90501278
• Nikkaji Number: J2.231.067D
• Wikidata: Q82353552
• Mol file: 366-78-9.mol

Synonyms:2-(4-fluorophenyl)-2-oxoethyl acetate;366-78-9;[2-(4-fluorophenyl)-2-oxoethyl] acetate;SCHEMBL9943585;DTXSID90501278;NWWVLMFYYZBSGA-UHFFFAOYSA-N;MFCD09152727;AKOS005071896;AB49706;BB-0706;[2-(4-fluorophenyl)-2-oxo-ethyl]acetate;CS-0323347;FT-0680844;J-505987

Chemical Property of 2-(4-Fluorophenyl)-2-oxoethyl acetate

Chemical Property:

• Vapor Pressure: 0.00305mmHg at 25°C
• Melting Point: 52-54°
• Refractive Index: 1.497
• Boiling Point: 284°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 43.37000
• Density: 1.213g/cm³
• LogP: 1.57150
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.05357231
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

2-(4-Fluorophenyl)-2-oxoethylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Fluorophenyl)-2-oxoethyl acetate

There total 18 articles about 2-(4-Fluorophenyl)-2-oxoethyl acetate 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: 92.0%

1-ethynyl-4-fluorobenzene (766-98-3) + [bis(acetoxy)iodo]benzene (3240-34-4) → α-acetoxy-4-fluoroacetophenone (366-78-9)

Guidance literature:

With silver(I) acetate; In acetonitrile; at 25 ℃; for 12h;

DOI:10.1016/j.tet.2013.04.122

Reference yield: 89.0%

1-ethynyl-4-fluorobenzene (766-98-3) + methanesulfonic acid (75-75-2,98527-29-8) + acetic acid (64-19-7,77671-22-8) → 2-(4-fluorophenyl)-2-oxoethyl methanesulfonate (1023922-09-9) + α-acetoxy-4-fluoroacetophenone (366-78-9)

Guidance literature:

With 8-methylquinoline 1-oxide; [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); at 20 ℃; for 8h;

DOI:10.1055/s-0033-1338513

Reference yield: 87.0%

N-(1-(4-fluorophenyl)vinyl)acetamide (177750-13-9) → α-acetoxy-4-fluoroacetophenone (366-78-9)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; In water; at 20 ℃;

DOI:10.1039/c6ob02002j

upstream raw materials:

sodium acetate

2-bromo-4'-fluoroacetophenone

acetic acid

1-(4-fluorophenyl)ethanone

Downstream raw materials:

4-fluoro-2-hydroxy-acetophenone

2-(4-fluorophenyl)-3-hydroxyquinoline-4-carboxylic acid

2-(4-fluorophenyl)-3-hydroxy-4-isopropylquinoline

2-(4-fluorophenyl)-3-hydroxy-4-(2-hydroxy-2-propyl)quinoline