Acetyl fluoride

Base Information

• Chemical Name: Acetyl fluoride
• CAS No.: 557-99-3
• Molecular Formula: C2H3FO
• Molecular Weight: 62.0436
• European Community (EC) Number: 209-188-0
• UNII: SFP6JT54SF
• DSSTox Substance ID: DTXSID3060326
• Nikkaji Number: J2.666B
• Wikipedia: Acetyl_fluoride
• Wikidata: Q481798
• Mol file: 557-99-3.mol

Synonyms:ACETYL FLUORIDE;557-99-3;Methylcarbonyl fluoride;Fluorid kyseliny octove [Czech];Fluorid kyseliny octove;CH3COF;EINECS 209-188-0;SFP6JT54SF;BRN 1733308;4-02-00-00393 (Beilstein Handbook Reference);acetic fluoride;ethanoyl fluoride;Acetic acid fluoride;UNII-SFP6JT54SF;C2H3FO;DTXSID3060326;CHEBI:191932;MFCD00000365;AKOS025310426;FT-0621818;Q481798

Chemical Property of Acetyl fluoride

Chemical Property:

• Vapor Pressure: 15.61 psi ( 20 °C)
• Melting Point: -84 °C(lit.)
• Refractive Index: 1.286
• Boiling Point: 20.8 °C at 760 mmHg
• PSA: 17.07000
• Density: 0.967 g/cm³
• LogP: 0.50240
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 62.016792877
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetyl fluoride 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F
• Hazard Codes: C,F
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)F

Technology Process of Acetyl fluoride

There total 63 articles about Acetyl fluoride 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: 98.0%

acetic acid (64-19-7,77671-22-8) → acetyl fluoride (557-99-3) + 1,1,7-trihydrododecafluoroheptylsulfurous fluoride (78499-30-6)

Guidance literature:

With (1,1,7-trihydrododecafluoroheptyloxy)difluorosulfonium tetrafluoroborate; In 1,1,2-Trichloro-1,2,2-trifluoroethane; 1.) -30 to -10 deg C, 1 h; 2.) to 30 deg C;

Reference yield: 98.0%

(1,1,7-trihydrododecafluoroheptyloxy)difluorosulfonium hexafluoroantimonate → acetyl fluoride (557-99-3) + 1,1,7-trihydrododecafluoroheptylsulfurous fluoride (78499-30-6)

Guidance literature:

With trimethylsilyl acetate; at -20 ℃; for 2h;

Reference yield: 96.0%

Acetyl bromide (506-96-7) → acetyl fluoride (557-99-3)

Guidance literature:

With 2,3-Dimethyl-2-butene; bis(trifluoromethyl)cadmium * dimethoxyethane; at -27 ℃; for 0.5h;

DOI:10.1021/ja00401a015

upstream raw materials:

Ketene

N-(2-chloro-1,1,2-trifluoroethyl)diethylamine

thioacetic acid

diethyl ether

Downstream raw materials:

1-fluoro-2-propanone

trityl fluoride

ethyl 2-fluoroacetate

ethyl difluoroacetate

Refernces

• 1、 Utebaev,U. et al.. "". . . Retrieved 1976.
• 2、 Christe, Karl O.,Wilson, William W.,Blanger-Chabot, Guillaume,Haiges, Ralf,Boatz, Jerry A.,Rahm, Martin,Prakash, G. K. Surya,Saal, Thomas,Hopfinger, Mathias. "Synthesis and characterization of fluorodinitroamine, FN(NO2)2". . p. 1316 - 1320. Retrieved 2015.
• 3、 Sekiya,Desmarteau. "". . p. 289,290,293,294,295,296. Retrieved 1979.
• 4、 Nikolaev et al.. "". . . Retrieved 1972.
• 5、 -. "METHOD AND REAGENT FOR DEOXYFLUORINATION". Paragraph 0111-0112; 0114-0115. . Retrieved 2021/05/29.
• 6、 Hanson-Heine, Magnus W. D.,Licence, Peter,Marr, Andrew C.,Morgan, Patrick J.,Saunders, Graham C.,Thomas, Hayden P.. "C-F Bond Activation of a Perfluorinated Ligand Leading to Nucleophilic Fluorination of an Organic Electrophile". supporting information. p. 2116 - 2124. Retrieved 2020/07/23.