2',5'-Difluoroacetophenone

Base Information

• Chemical Name: 2',5'-Difluoroacetophenone
• CAS No.: 1979-36-8
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.132
• Hs Code.: 29147000
• European Community (EC) Number: 217-837-4
• DSSTox Substance ID: DTXSID30173498
• Nikkaji Number: J199.796C
• Wikidata: Q72462302
• Mol file: 1979-36-8.mol

Synonyms:2',5'-Difluoroacetophenone;1979-36-8;1-(2,5-Difluorophenyl)ethanone;2,5-Difluoroacetophenone;1-(2,5-Difluorophenyl)ethan-1-one;Ethanone, 1-(2,5-difluorophenyl)-;MFCD00009898;EINECS 217-837-4;2,5-difluoro acetophenone;2',5'-difluoro acetophenone;SCHEMBL364307;2', 5'-difluoro acetophenone;2/',5/'-Difluoroacetophenone;HLAFIZUVVWJAKL-UHFFFAOYSA-;DTXSID30173498;2',5'-Difluoroacetophenone, 98%;1-(2,5-Difluorophenyl)ethanone #;AKOS000200928;AC-6262;CS-W010921;PS-8846;SY037528;A4337;AM20030280;D2607;FT-0610345;EN300-11172;O10253;J-012784;Z57046229;2 inverted exclamation mark ,5 inverted exclamation mark -Difluoroacetophenone

Chemical Property of 2',5'-Difluoroacetophenone

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 1.06E-05mmHg at 25°C
• Refractive Index: n20/D 1.4882(lit.)
• Boiling Point: 190.7 °C at 760 mmHg
• Flash Point: 70.3 °C
• PSA: 17.07000
• Density: 1.206 g/cm³
• LogP: 2.16740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.03867113
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2'',5''-Difluoroacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)F)F
• Uses: 2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects. 2′,5′-Difluoroacetophenone has been used in the preparation of 2,5-difluorostyrene.

Technology Process of 2',5'-Difluoroacetophenone

There total 2 articles about 2',5'-Difluoroacetophenone 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:

acetophenone (98-86-2) → 2'-Fluoroacetophenone (445-27-2) + 1-(3,3,6,6-tetrafluoro-1,4-cyclohexyldienyl)-1-ethanone (69291-63-0) + 2',5'-difluoroacetophenone (1979-36-8) + 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With hydrogen fluoride; In diethyl ether; acetone; at 5 ℃; for 18h; Electrochemical reaction;

DOI:10.1023/B:RUJO.0000013131.19936.5e

Reference yield:

para-difluorobenzene (540-36-3) + acetyl chloride (75-36-5) → 2',5'-difluoroacetophenone (1979-36-8)

Guidance literature:

With aluminium trichloride; at 95 ℃;

DOI:10.1021/jo01062a067

Reference yield: 97.7%

2',5'-difluoroacetophenone (1979-36-8) + 4-methoxy-benzoyl chloride (100-07-2) → 1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propane-1,3-dione (1431642-66-8)

Guidance literature:

2',5'-difluoroacetophenone; With lithium hexamethyldisilazane; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

4-methoxy-benzoyl chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2013.02.052

upstream raw materials:

para-difluorobenzene

acetyl chloride

acetophenone

Downstream raw materials:

3-[2-(2,5-Difluoro-phenyl)-2-oxo-ethyl]-5-fluoro-3-hydroxy-1,3-dihydro-indol-2-one

3-[2-(2,5-Difluoro-phenyl)-2-oxo-ethyl]-6-fluoro-3-hydroxy-1,3-dihydro-indol-2-one

4,4,5,5,5-pentafluoro-1-(2,5-difluorophenyl)-1,3-pentanedione

(2,5-Difluoro-phenyl)-oxo-acetaldehyde

Refernces

• 1、 Konovalov, Valery V.,Laev, Sergey S.,Beregovaya, Irina V.,Shchegoleva, Lyudmila N.,Shteingarts, Vitalij D.,Tsvetkov, Yuri D.,Bilkis, Itzhak. "Fragmentation of radical anions of polyfluorinated benzoates". . p. 352 - 361. Retrieved 2007/10/03.