Butanoyl fluoride

Base Information

• Chemical Name: Butanoyl fluoride
• CAS No.: 461-53-0
• Molecular Formula: C4H7 F O
• Molecular Weight: 90.0974
• Hs Code.: 2915900090
• European Community (EC) Number: 207-310-7
• DSSTox Substance ID: DTXSID2060040
• Nikkaji Number: J196.178K
• Wikidata: Q81989041
• Mol file: 461-53-0.mol

Synonyms:Butanoyl fluoride;Butyryl fluoride;461-53-0;EINECS 207-310-7;C4H7FO;DTXSID2060040

Chemical Property of Butanoyl fluoride

Chemical Property:

• Vapor Pressure: 91.7mmHg at 25°C
• Boiling Point: 78.7°Cat760mmHg
• Flash Point: 18.6°C
• PSA: 17.07000
• Density: 0.927g/cm³
• LogP: 1.28260
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.048093005
• Heavy Atom Count: 6
• Complexity: 51.5

Purity/Quality:

99% ^*data from raw suppliers

BUTANOYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)F

Technology Process of Butanoyl fluoride

There total 11 articles about Butanoyl 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: 14.1%

isobutyryl chloride (79-30-1) → isobutyryl fluoride (430-92-2) + butanoyl fluoride (461-53-0)

Guidance literature:

With hydrogen fluoride; electrochemical fluorination; 5.0-5.4 V, 9-11 mA/cm²;

DOI:10.1016/S0022-1139(00)84984-2

Reference yield: 1.6%

butyryl chloride (141-75-3) → isobutyryl fluoride (430-92-2) + butanoyl fluoride (461-53-0)

Guidance literature:

With hydrogen fluoride; electrochemical fluorination; 5.0-5.5 V, 9-10 mA/cm²;

DOI:10.1016/S0022-1139(00)84984-2

Reference yield:

butanoic acid anhydride (106-31-0) → butanoyl fluoride (461-53-0)

Guidance literature:

With potassium fluoride; at 180 ℃;

DOI:10.1007/s00330-001-1234-9

upstream raw materials:

butanoic acid anhydride

benzoyl chloride

butyric acid

butyryl chloride

Downstream raw materials:

propiophenone

butanoic acid methyl ester

butyl butyrate

perfluorobutyryl fluoride

Refernces

• 1、 Mao, Siyu,Kramer, Jordan H.,Sun, Haoran. "Deoxyfluorination of Carboxylic Acids with KF and Highly Electron-Deficient Fluoroarenes". . p. 6066 - 6074. Retrieved 2021/05/29.
• 2、 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.