2-Hexylfuran

Base Information

• Chemical Name: 2-Hexylfuran
• CAS No.: 3777-70-6
• Molecular Formula: C10H16O
• Molecular Weight: 152.236
• European Community (EC) Number: 223-235-2
• UNII: SXY8B84U4G
• DSSTox Substance ID: DTXSID10191216
• Nikkaji Number: J45.623C
• Wikidata: Q63395770
• Metabolomics Workbench ID: 48686
• Mol file: 3777-70-6.mol

Synonyms:2-Hexylfuran;3777-70-6;2-n-Hexylfuran;Furan, 2-hexyl-;SXY8B84U4G;EINECS 223-235-2;2-hexyluran;2-Hexyl-Furan;2-n-Hexylfuran, 97%;UNII-SXY8B84U4G;SCHEMBL1514965;DTXSID10191216;CHEBI:171966;MFCD00053134;AKOS025396822;AS-76716;CS-0451891;Q63395770

Chemical Property of 2-Hexylfuran

Chemical Property:

• Vapor Pressure: 0.701mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 191.9 °C at 760 mmHg
• Flash Point: 60.8 °C
• PSA: 13.14000
• Density: 0.889g/cm³
• LogP: 3.40240
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 90.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-n-Hexylfuran, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC=CO1

Technology Process of 2-Hexylfuran

There total 34 articles about 2-Hexylfuran 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%

furan (110-00-9) + 1-Iodohexane (638-45-9) → 2-hexylfuran (3777-70-6)

Guidance literature:

furan; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h; Inert atmosphere;

1-Iodohexane; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/ejoc.201600524

Reference yield: 90.0%

2-methoxy-3-decyn-1-ol (104149-80-6) → 2-hexylfuran (3777-70-6)

Guidance literature:

With hydrogenchloride; bis(benzonitrile)palladium(II) dichloride; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)91384-5

Reference yield: 89.0%

dec-3-yne-1,2-diol (118620-96-5) → 2-hexylfuran (3777-70-6)

Guidance literature:

With gold(III) tribromide; sodium chloride; In water; at 20 ℃; for 0.5h; Reagent/catalyst; Darkness; Sealed tube;

DOI:10.1021/ol403402h

upstream raw materials:

furan

1-bromo-hexane

(2E)-4-hydroxydec-2-enal

(E)-1-Hydroxy-dec-2-en-4-one

Downstream raw materials:

(5-hexyl-2-furyl)diphenylmethane

1-<(4-Methoxycarbonyl)phenyl>-1,6-dioxo-dodeca-2,4-(E,E)-diene

ostopanic acid

Refernces

• 1、 Ioannou, Georgios I.,Kalaitzakis, Dimitris,Vassilikogiannakis, Georgios. "Singlet-Oxygen-Initiated Tandem Transformation of 2-Hexylfuran to the Natural Alkaloids Glochidine and Glochidicine". . p. 3304 - 3306. Retrieved 2016.
• 2、 Nguyen, The-Duy,Lan, Yen-Po,Wu, Chun-Guey. "The function of Chalcogenophene in the Cyclomatelated Ring of the Cycloruthenated Dyes applied in Dye-Sensitized Solar Cell". supporting information. p. 11328 - 11337. Retrieved 2021/08/03.
• 3、 Minkler, Stefan R. K.,Isley, Nicholas A.,Lippincott, Daniel J.,Krause, Norbert,Lipshutz, Bruce H.. "Leveraging the micellar effect: Gold-catalyzed dehydrative cyclizations in water at room temperature". . p. 724 - 726. Retrieved 2014/03/21.