(4-Chlorophenyl)(4-fluorophenyl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(4-fluorophenyl)methanone
• CAS No.: 2069-48-9
• Molecular Formula: C13H8ClFO
• Molecular Weight: 234.657
• Hs Code.: 2914700090
• European Community (EC) Number: 606-604-6
• ChEMBL ID: CHEMBL1863065
• DSSTox Substance ID: DTXSID60550314
• Nikkaji Number: J1.595.239C
• Wikidata: Q82429590
• Mol file: 2069-48-9.mol

Synonyms:(4-chlorophenyl)(4-fluorophenyl)methanone;2069-48-9;4-CHLORO-4'-FLUOROBENZOPHENONE;(4-chlorophenyl)-(4-fluorophenyl)methanone;MFCD07787488;SCHEMBL698985;CHEMBL1863065;DTXSID60550314;4-Chloro-4'-Fluoro Benzophenone;YGROSAOZMCLHSW-UHFFFAOYSA-N;DNDI1268117;AKOS009338977;AM86745;BS-22026;CS-0449455;EN300-99879;Methanone, (4-chlorophenyl)(4-fluorophenyl)-;A18435;Z385412934

Chemical Property of (4-Chlorophenyl)(4-fluorophenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 114-115 °C
• Refractive Index: 1.578
• Boiling Point: 339.8 °C at 760 mmHg
• Flash Point: 159.3 °C
• PSA: 17.07000
• Density: 1.277 g/cm³
• LogP: 3.71010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.0247707
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

(4-Chlorophenyl)(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F

Technology Process of (4-Chlorophenyl)(4-fluorophenyl)methanone

There total 22 articles about (4-Chlorophenyl)(4-fluorophenyl)methanone 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: 95.0%

(E)-1-(4-fluorophenyl)-2-(4-chlorophenyl)ethene (39769-26-1,64583-12-6,24955-07-5) → 4-chloro-4'-fluoro-benzophenone (2069-48-9)

Guidance literature:

With sodium periodate; tetraethylammonium iodide; In water; acetonitrile; at 105 ℃; for 12h; Sealed tube;

DOI:10.1039/c4ra08764j

Reference yield: 94.0%

4-fluorobenzoyl chloride (403-43-0) + chlorobenzene (108-90-7) → 4-chloro-4'-fluoro-benzophenone (2069-48-9)

Guidance literature:

With bis[N-(trifluoromethylsulfonylimino)]trifluoromethanesulfonic acid; In dichloromethane; for 16h; Reflux; Inert atmosphere;

DOI:10.1016/j.tetlet.2008.11.038

Reference yield: 92.0%

1-(4-fluorobenzoyl)piperidine-2,6-dione + (p-chlorophenyl)triethoxysilane (21700-74-3) → 4-chloro-4'-fluoro-benzophenone (2069-48-9)

Guidance literature:

With lithium acetate; palladium diacetate; triethylamine tris(hydrogen fluoride); tricyclohexylphosphine; In 1,4-dioxane; water; at 90 ℃; for 6h;

DOI:10.1021/acs.orglett.0c03260

upstream raw materials:

4-fluorobenzoyl chloride

chlorobenzene

fluorobenzene

4-chloro-benzoyl chloride

Downstream raw materials:

(4-Chloro-phenyl)-(4-fluoro-phenyl)-pyrimidin-5-yl-methanol

4-chloro-4'-hydroxybenzophenone

(4'-butylbiphenyl-4-yl)(4'-(dimethylamino)biphenyl-4-yl)methanone

(4'-(dimethylamino)biphenyl-4-yl)(4-fluorophenyl)methanone

Refernces

• 1、 Idris, Muhammad Aliyu,Lee, Sunwoo. "Palladium-Catalyzed Amide N-C Hiyama Cross-Coupling: Synthesis of Ketones". supporting information. p. 9190 - 9195. Retrieved 2020/11/18.
• 2、 Schirmer, Tobias Emanuel,Wimmer, Alexander,Weinzierl, Florian Wolfgang Clemens,K?nig, Burkhard. "Photo-nickel dual catalytic benzoylation of aryl bromides". supporting information. p. 10796 - 10799. Retrieved 2019/09/13.