2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone
• CAS No.: 126866-16-8
• Molecular Formula: C14H10ClFO
• Molecular Weight: 248.684
• DSSTox Substance ID: DTXSID30565172
• Wikidata: Q82450128
• Mol file: 126866-16-8.mol

Synonyms:2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone;126866-16-8;2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethan-1-one;SCHEMBL6202445;DTXSID30565172;BFA86616;MFCD09744107;AKOS009339513;AM90036;BS-20431;CS-0209903;EN300-6762688;A849026;2-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-ethanone;Ethanone, 2-(4-chlorophenyl)-1-(4-fluorophenyl)-;Z385412686

Chemical Property of 2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone

Chemical Property:

• PSA: 17.07000
• LogP: 3.90450
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.0404208
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)C2=CC=C(C=C2)F)Cl

Technology Process of 2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone

There total 3 articles about 2-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanone 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:

1-(4-chlorophenyl)-1-(4-fluorophenyl)ethene (38695-17-9) → 2-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-ethanone (126866-16-8) + 1-(4-chlorophenyl)-2-(4-fluorophenyl)ethanone (126866-15-7)

Guidance literature:

With iodine tris(trifluoroacetate); In tetrachloromethane; at 23 ℃; for 3h; Yield given;

DOI:10.1246/bcsj.62.3182

Reference yield:

fluorobenzene (462-06-6) + 4-chlorophenacetyl chloride (25026-34-0) → 2-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-ethanone (126866-16-8)

Guidance literature:

With aluminium trichloride; at 20 ℃; for 0.75h;

DOI:10.1007/s10593-006-0178-z

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 2-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-ethanone (126866-16-8)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 3 h / Heating

2: AlCl₃ / 0.75 h / 20 °C

With aluminium trichloride; thionyl chloride; 2: Friedel-Crafts reaction;

DOI:10.1007/s10593-006-0178-z

upstream raw materials:

1-(4-chlorophenyl)-1-(4-fluorophenyl)ethene

fluorobenzene

4-chlorophenacetyl chloride

4-chlorophenylacetic Acid

Downstream raw materials:

1-(4-chlorophenyl)-2-(4-fluorophenyl)-1,2-ethanedione

(2R,3R)-2-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1-[1,2,4]triazol-1-yl-pentane-2,3-diol

(2R,3S)-2-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1-[1,2,4]triazol-1-yl-pentane-2,3-diol

(2R,3S)-2-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1-[1,2,4]triazol-1-yl-butane-2,3-diol