2-Pentanoylfuran

Base Information

• Chemical Name: 2-Pentanoylfuran
• CAS No.: 3194-17-0
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2932190090
• European Community (EC) Number: 681-817-5
• NSC Number: 27359
• UNII: B3CNH05Z42
• DSSTox Substance ID: DTXSID90185779
• Nikkaji Number: J2.389.200F
• Wikidata: Q27274309
• Metabolomics Workbench ID: 48677
• Mol file: 3194-17-0.mol

Synonyms:2-Pentanoylfuran;3194-17-0;1-(furan-2-yl)pentan-1-one;2-Valerylfuran;1-(2-Furyl)pentan-1-one;butyl 2-furyl ketone;1-(2-Furanyl)-1-pentanone;1-Pentanone, 1-(2-furanyl)-;2-Pentanoylfuran [FHFI];NSC-27359;1-Pentanone, 1-(2-furyl)-;UNII-B3CNH05Z42;1-(2-Furyl)-1-pentanone;B3CNH05Z42;2-Valeroylfuran;2-valeryl furan;2-Pentanoyl furan;Butyl furyl ketone;NSC27359;1-furan-2-ylpentan-1-one;2-Valerylfuran, AldrichCPR;1-(2-Furyl)pentane-1-one;1-(uran-2-yl)pentan-1-one;SCHEMBL3507027;1-(2-Furyl)-1-pentanone #;1-(furan-2-yl)-pentan-1-one;DTXSID90185779;CHEBI:179250;MFCD00053147;AKOS010980398;AS-58921;N14288;Q27274309

Chemical Property of 2-Pentanoylfuran

Chemical Property:

• Vapor Pressure: 0.214mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 224.8 °C at 760 mmHg
• Flash Point: 97 °C
• PSA: 30.21000
• Density: 0.992 g/cm³
• LogP: 2.65250
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-PENTANOYL FURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C1=CC=CO1

Technology Process of 2-Pentanoylfuran

There total 25 articles about 2-Pentanoylfuran 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: 95.0%

(+/-)-1-(furan-2-yl)pent-4-en-1-ol (80275-34-9) → 1-furan-2-yl-pentan-1-one (3194-17-0)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 70 ℃; for 15h; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b04508

Reference yield: 87.0%

2-furancarbonyl chloride (527-69-5) + butyl-iodo-manganese (62485-87-4) → 1-furan-2-yl-pentan-1-one (3194-17-0)

Guidance literature:

In diethyl ether; for 2h; Ambient temperature;

DOI:10.1055/s-1985-31101

Reference yield: 83.0%

n-butyllithium (109-72-8,29786-93-4) + Ethyl 2-furoate (614-99-3) → 1-furan-2-yl-pentan-1-one (3194-17-0)

Guidance literature:

Ethyl 2-furoate; With morpholine; diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 ℃; for 3.16667h; Inert atmosphere;

n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.tet.2014.03.045

upstream raw materials:

furan

pentanoic anhydride

n-valeryl chloride

2-furancarbonitrile

Downstream raw materials:

1,1,1-trifluoro-2-hexanone

Ethyl 2-furoate

1-(furan-2-yl)pentan-1-amine

Refernces

• 1、 Dong, Wenke,Yang, Hongxuan,Yang, Wen,Zhao, Wanxiang. "Rhodium-Catalyzed Remote Isomerization of Alkenyl Alcohols to Ketones". . . Retrieved 2020/02/28.
• 2、 Jeon, Ah Ram,Kim, Min Eai,Park, Jae Kyo,Shin, Won Kyu,An, Duk Keun. "Mild and direct conversion of esters to morpholine amides using diisobutyl(morpholino)aluminum: Application to efficient one-pot synthesis of ketones and aldehydes from esters". . p. 4420 - 4424. Retrieved 2014/06/10.