2-Butyrylfuran

Base Information

• Chemical Name: 2-Butyrylfuran
• CAS No.: 4208-57-5
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2932190090
• NSC Number: 21612
• UNII: 6S59MOW77W
• DSSTox Substance ID: DTXSID70863341
• Nikkaji Number: J45.603I
• Wikidata: Q27265419
• Metabolomics Workbench ID: 48678
• Mol file: 4208-57-5.mol

Synonyms:1-(furan-2-yl)butan-1-one;4208-57-5;2-Butyrylfuran;1-(2-furyl)butan-1-one;2-Butanoylfuran;1-(2-furanyl)-1-butanone;Furyl n-propyl ketone;2-Furyl propyl ketone;1-Butanone, 1-(2-furanyl)-;FEMA No. 4083;1-Butanone, 1-(2-furyl)-;1-(2-Furanil)butanone;1-(2-Furyl)-1-butanone;UNII-6S59MOW77W;6S59MOW77W;NSC-21612;2-Butyryl furan;NSC21612;Propyl furyl ketone;1(2-Furyl)butanone;1(2-Furyl) butanone;1-furan-2-ylbutan-1-one;1-(uran-2-yl)butan-1-one;N-BUTYRYLFURAN [FHFI];SCHEMBL3506264;1-(2-Furyl)-1-butanone #;DTXSID70863341;CHEBI:179259;MFCD00046111;NSC 21612;AKOS010980163;AS-58608;CS-0332346;FT-0635180;N14287;A825755;Q27265419

Chemical Property of 2-Butyrylfuran

Chemical Property:

• Appearance/Colour: Colourless liquid; Balsamic aroma
• Vapor Pressure: 0.248mmHg at 25°C
• Melting Point: 10-12 °C
• Refractive Index: 1.465
• Boiling Point: 205.6 °C at 760 mmHg
• Flash Point: 87.7 °C
• PSA: 30.21000
• Density: 1.01 g/cm³
• LogP: 2.26240
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

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

2-BUTYRYLFURAN AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=CO1

Technology Process of 2-Butyrylfuran

There total 12 articles about 2-Butyrylfuran 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: 89.0%

1-(2-furyl)butan-1-ol (4208-62-2,150547-34-5) → 1-(furan-2-yl)butan-1-one (4208-57-5)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl-ammonium chloride; sodium carbonate; copper dichloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 40 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.01.061

Reference yield: 86.0%

furan (110-00-9) + butyryl chloride (141-75-3) → 1-(furan-2-yl)butan-1-one (4208-57-5)

Guidance literature:

With zinc trifluoromethanesulfonate; In nitromethane; at 20 ℃; for 4h;

DOI:10.1080/00397910701750292

Reference yield: 84.0%

2-furancarbonyl chloride (527-69-5) + n-C3H7HgI (18257-69-7) → 1-(furan-2-yl)butan-1-one (4208-57-5)

Guidance literature:

With sodium iodide; iodophenylbis(triphenylphosphine)palladium; In acetone; at 20 ℃; for 0.5h;

DOI:10.1016/0022-328X(89)87037-8

upstream raw materials:

furan

butanoic acid anhydride

butyryl chloride

tetrachloromethane

Downstream raw materials:

2-furanoic acid

2-bromo-1-(furan-2-yl)butan-1-one

1-[5-(4-fluorophenyl)furan-2-yl]butan-1-one

1-[5-(4-formylphenyl)furan-2-yl]butan-1-one

Refernces

• 1、 Wang, Hua-Yu Leo,Wu, Bulan,Zhang, Qi,Kang, Sang-Woo,Rojanasakul, Yon,O'Doherty, George A.. "C5′-alkyl substitution effects on digitoxigenin α-l-glycoside cancer cytotoxicity". scheme or table. p. 259 - 263. Retrieved 2011/06/16.
• 2、 Boudreau, Josée,Doucette, Mike,Ajjou, Abdelaziz Nait. "A new and highly efficient water-soluble copper complex for the oxidation of secondary 1-heteroaryl alcohols by tert-butyl hydroperoxide". . p. 1695 - 1698. Retrieved 2007/10/03.