5-Hexylfuran-2(5H)-one

Base Information

• Chemical Name: 5-Hexylfuran-2(5H)-one
• CAS No.: 2518-53-8
• Molecular Formula: C10H16O2
• Molecular Weight: 168.236
• Hs Code.: 2932209090
• European Community (EC) Number: 219-742-3
• DSSTox Substance ID: DTXSID50862978
• Nikkaji Number: J192.003K
• Mol file: 2518-53-8.mol

Synonyms:5-Hexylfuran-2(5H)-one;2518-53-8;2(5H)-Furanone, 5-hexyl-;EINECS 219-742-3;2-hexyl-2H-furan-5-one;dec-2-en-4-olide;5-hexyl-2(5H)-furanone;SCHEMBL1895638;DTXSID50862978

Chemical Property of 5-Hexylfuran-2(5H)-one

Chemical Property:

• Vapor Pressure: 0.00286mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 285.1°Cat760mmHg
• Flash Point: 114.9°C
• PSA: 26.30000
• Density: 0.971g/cm³
• LogP: 2.43840
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

5-HEXYLFURAN-2(5H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1C=CC(=O)O1

Technology Process of 5-Hexylfuran-2(5H)-one

There total 23 articles about 5-Hexylfuran-2(5H)-one 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: 94.0%

(3E)-dec-3-enoic acid (2430-93-5,15469-77-9,53678-20-9) → hexyl-5 (5H) furannone-2 (2518-53-8)

Guidance literature:

With (M*,3aS*,3a'S*)-3,3',3a',4,4',5,5'-octahydro-3,3,3',3'-tetraisopropyl-6,6'-spirobi[6H-cyclopent[c]isoxazole]; palladium diacetate; p-benzoquinone; In 1,2-dichloro-ethane; at 30 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c0cc02352c

Reference yield: 92.0%

5-Hexyl-4-(toluene-4-sulfonyl)-dihydro-furan-2-one (120132-28-7,120132-33-4) → hexyl-5 (5H) furannone-2 (2518-53-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃;

DOI:10.1016/S0040-4039(00)80713-3

Reference yield: 91.0%

dec-3-enoic acid (15469-77-9) → hexyl-5 (5H) furannone-2 (2518-53-8)

Guidance literature:

dec-3-enoic acid; With Oxalyl bromide; dimethyl sulfoxide; In dichloromethane; at -10 - 20 ℃; Inert atmosphere;

With sodium hydroxide; In dichloromethane; water; for 5h; Reagent/catalyst;

DOI:10.1080/00397911.2019.1652914

upstream raw materials:

exo hexyl-5 oxa-4 tricyclo<5.2.1.0^2,6>decene-8 one-3

5-Hexyl-4-phenylsulfanyl-dihydro-furan-2-one

5-Hexyl-4-(toluene-4-sulfonyl)-dihydro-furan-2-one

3-Benzenesulfinyl-5-hexyl-dihydro-furan-2-one