2-Octylfuran

Base Information

• Chemical Name: 2-Octylfuran
• CAS No.: 4179-38-8
• Molecular Formula: C12H20 O
• Molecular Weight: 180.29
• European Community (EC) Number: 224-049-4
• DSSTox Substance ID: DTXSID80194613
• Nikkaji Number: J47.705B
• Wikidata: Q27159757
• Mol file: 4179-38-8.mol

Synonyms:2-Octylfuran;4179-38-8;Furan, 2-octyl-;2-n-Octylfuran;EINECS 224-049-4;2-N-OCTYLFURAN, 98;SCHEMBL1863821;CHEBI:87592;DTXSID80194613;AKOS006230673;FT-0613249;Q27159757

Chemical Property of 2-Octylfuran

Chemical Property:

• Vapor Pressure: 0.0866mmHg at 25°C
• Boiling Point: 233.1°Cat760mmHg
• Flash Point: 87.7°C
• PSA: 13.14000
• Density: 0.883g/cm³
• LogP: 4.18260
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

2-OCTYLFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CCCCCCCCC1=CC=CO1

Technology Process of 2-Octylfuran

There total 18 articles about 2-Octylfuran 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: 96.0%

dodec-3-yne-1,2-diol (1190987-78-0) → 2-octyl-furan (4179-38-8)

Guidance literature:

With 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; silver trifluoromethanesulfonate; In tetrahydrofuran; at 0 ℃; for 0.166667h; Inert atmosphere; Darkness; Molecular sieve;

DOI:10.1021/ol901901m

Reference yield: 93.8%

(E)-1-(Tetrahydro-pyran-2-yloxy)-dodec-2-en-4-one (130881-30-0) → 2-octyl-furan (4179-38-8)

Guidance literature:

With methanol; toluene-4-sulfonic acid; In dichloromethane; for 2h; Heating;

Reference yield: 90.0%

furan (110-00-9) + 1-bromo-octane (111-83-1) → 2-octyl-furan (4179-38-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 0 deg C, room temperature, 4 h;

DOI:10.1021/jo952284p

upstream raw materials:

furan

1-Iodooctane

1-bromo-octane

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

Downstream raw materials:

5-Octyl-2-(phenylthio)furan

(+/-)-LTB₃

2-(Phenylthio)-3-(trimethylsilyl)-5-octylfuran

2-(Phenylthio)-3-bromo-5-octylfuran

Refernces

• 1、 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". supporting information. p. 724 - 726. Retrieved 2014/03/21.
• 2、 Aponick, Aaron,Li, Chuan-Ying,Malinge, Jeremy,Marques, Emerson Finco. "An extremely facile synthesis of furans, pyrroles, and thiophenes by the dehydrative cyclization of propargyl alcohols". supporting information; experimental part. p. 4624 - 4627. Retrieved 2009/12/09.