5-Octylfuran-2(5H)-one

Base Information

• Chemical Name: 5-Octylfuran-2(5H)-one
• CAS No.: 17756-68-2
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• European Community (EC) Number: 241-746-9
• DSSTox Substance ID: DTXSID50938960
• Nikkaji Number: J287.146G
• Mol file: 17756-68-2.mol

Synonyms:5-Octylfuran-2(5H)-one;17756-68-2;2-octyl-2H-furan-5-one;5-octyl-2(5H)-furanone;2(5H)-Furanone, 5-octyl-;(1)-5-Octylfuran-2(5H)-one;EINECS 241-746-9;EINECS 261-517-7;58949-91-0;.gamma.-2-dodecenolactone;5-octyl-5H-furan-2-one;SCHEMBL2315807;DTXSID50938960;(+-)-5-octylfuran-2(5H)-one;AKOS015918512;BS-51762;FT-0731505;E85343

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

Chemical Property:

• Boiling Point: 316.4°Cat760mmHg
• Flash Point: 130°C
• Density: 0.952g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1C=CC(=O)O1

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

There total 21 articles about 5-Octylfuran-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: 89.0%

Dodecen-(3)-saeure (3024-05-3) → 5-octyl-5H-furan-2-one (17756-68-2)

Guidance literature:

Dodecen-⁽³⁾-saeure; 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

Reference yield: 66.0%

4-hydroxy-2-dodecynoic acid (64807-34-7) → 5-octyl-5H-furan-2-one (17756-68-2)

Guidance literature:

With Lindlar's catalyst; hydrogen; In ethyl acetate; at 100 ℃; for 2h; under 4500.45 Torr; Microwave irradiation;

DOI:10.1002/ardp.200800160

Reference yield: 51.0%

methyl 4-hydroxy-2-dodecynoate → 5-octyl-5H-furan-2-one (17756-68-2)

Guidance literature:

With Lindlar's catalyst; ammonium formate; In ethanol; at 78 ℃; for 3h; Microwave irradiation;

DOI:10.1002/ardp.200800160

upstream raw materials:

2-nitrofuran

octylmagnesium bromide

n-octylmagnesium chloride

2-octyl-furan

Downstream raw materials:

(R)-4-dodecanolide

5(S)-octyl-2(3H)-dihydrofuranone

(3aR,4R,6aR)-3-Methyl-4-octyl-3-phenylselanyl-dihydro-furo[3,4-b]furan-2,6-dione

(-)-avenaciolide