2',4'-Difluoropropiophenone

Base Information

• Chemical Name: 2',4'-Difluoropropiophenone
• CAS No.: 85068-30-0
• Molecular Formula: C9H8F2O
• Molecular Weight: 170.159
• Hs Code.: 29147000
• European Community (EC) Number: 285-291-4
• DSSTox Substance ID: DTXSID30234134
• Nikkaji Number: J309.647E
• Wikidata: Q72464115
• Mol file: 85068-30-0.mol

Synonyms:2',4'-Difluoropropiophenone;85068-30-0;1-(2,4-difluorophenyl)propan-1-one;2,4-Difluoropropiophenone;1-Propanone, 1-(2,4-difluorophenyl)-;1-(2,4-DIFLUOROPHENYL)-1-PROPANONE;MFCD00015507;EINECS 285-291-4;SCHEMBL196379;2\',4\'-Difluoropropiophenone;DTXSID30234134;AKOS000159012;CS-W017703;PS-8700;1-(2,4-difluoro-phenyl)-propan-1-one;AC-12244;D2598;FT-0610111;EN300-49147;Z285136992

Chemical Property of 2',4'-Difluoropropiophenone

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.311mmHg at 25°C
• Refractive Index: 1.4835-1.4855
• Boiling Point: 201.3 °C at 760 mmHg
• Flash Point: 74.8 °C
• PSA: 17.07000
• Density: 1.193 g/cm³
• LogP: 2.55750
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.05432120
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2'',4''-Difluoropropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 36/37/38-36/37
• Safety Statements: 37/39-26-36-36/37-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)F)F

Technology Process of 2',4'-Difluoropropiophenone

There total 5 articles about 2',4'-Difluoropropiophenone 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: 93.0%

methanol (67-56-1) + 1-(2,4-difluorophenyl)ethan-1-ol (2267-47-2) → 2',4'-difluoropropiophenone (85068-30-0)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide; In water; at 80 ℃; for 10h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001550

Reference yield: 85.0%

1,3-Difluorobenzene (372-18-9) + propionyl chloride (79-03-8) → 2',4'-difluoropropiophenone (85068-30-0)

Guidance literature:

With aluminium trichloride; r.t. to 65 deg C;

DOI:10.1016/0040-4039(96)01887-4

Reference yield:

C11H11F2NO → 2',4'-difluoropropiophenone (85068-30-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.5b00084

upstream raw materials:

1,3-Difluorobenzene

propionyl chloride

2',4'-difluoroacetophenone

methanol

Downstream raw materials:

(E)-1-(2,4-difluoro-phenyl)-propane-1,2-dione-2-oxime

4-[1-(2,4-difluorophenyl)-1-propenyl]morpholine

1-cyclohexyl-3-ethyl-6-fluoro-1H-indazole

2',4'-difluoro-2-methyl-3-(4-cyanophenyl)-propiophenone

Refernces

• 1、 Borah, Ashwini,Goswami, Limi,Neog, Kashmiri,Gogoi, Pranjal. "DMF Dimethyl Acetal as Carbon Source for α-Methylation of Ketones: A Hydrogenation-Hydrogenolysis Strategy of Enaminones". . p. 4722 - 4728. Retrieved 2015/05/13.
• 2、 -. "Preparation of chiral hydroxyketones". . . Retrieved 2008/06/13.