2,4-Dimethylfuran

Base Information

• Chemical Name: 2,4-Dimethylfuran
• CAS No.: 3710-43-8
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• Hs Code.: 2932190090
• UNII: WWC3WDX33J
• DSSTox Substance ID: DTXSID50190602
• Nikkaji Number: J376.240H
• Wikidata: Q27161722
• Metabolomics Workbench ID: 45814
• Mol file: 3710-43-8.mol

Synonyms:2,4-DIMETHYLFURAN;3710-43-8;Furan, 2,4-dimethyl-;2,4-dimethyl-furan;3,5-dimethylfuran;WWC3WDX33J;2,4-dimethyl furan;2,4-Dimethylfuran #;UNII-WWC3WDX33J;CHEBI:89526;DTXSID50190602;MFCD00511327;AKOS015905551;EN300-325734;F87949;Q27161722

Chemical Property of 2,4-Dimethylfuran

Chemical Property:

• Vapor Pressure: 52.4mmHg at 25°C
• Melting Point: -62.8°C (estimate)
• Refractive Index: 1.45
• Boiling Point: 95.2 °C at 760 mmHg
• Flash Point: 0.8 °C
• PSA: 13.14000
• Density: 0.917 g/cm³
• LogP: 1.89640
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 61.2

Purity/Quality:

99%, ^*data from raw suppliers

2,4-dimethylfuran 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CO1)C

Technology Process of 2,4-Dimethylfuran

There total 4 articles about 2,4-Dimethylfuran 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: 77.0%

2,4,6-trimethylpyrylium tetrafluoroborate (773-01-3) → 2,4-dimethylfuran (3710-43-8) + 3,5-dimethyl-2-furyl methyl ketone (22940-86-9) + (Z)-1-(Acetyloxy)-2-methyl-1-penten-4-one (145663-41-8)

Guidance literature:

With sodium dihydrogenphosphate; dihydrogen peroxide; In water; at 100 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)92277-X

Reference yield:

wood → furan (110-00-9) + 2-methylfuran (534-22-5) + 2,4-dimethylfuran (3710-43-8) + 2,5-dimethylfuran (625-86-5)

Guidance literature:

With air; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es9909632

Reference yield:

2-methylfuran (534-22-5) + Methyl fluoride (593-53-3) → 2,3-dimethylfuran (14920-89-9) + 2,4-dimethylfuran (3710-43-8) + 2,5-dimethylfuran (625-86-5)

Guidance literature:

With oxygen; trimethylamine; In gas; at 37.5 ℃; Product distribution; Kinetics; Mechanism; radiolysis: 1.5*10⁴ Gy at 5*10⁵ Gy h^-1; variable pressures;

upstream raw materials:

2-methylfuran

Methyl fluoride

methyl iodide

2,4,6-trimethylpyrylium tetrafluoroborate

Downstream raw materials:

2,4-dimethyl-1H-pyrrole

3,5-dimethyl-2-(2-methylphenyl)furan

Refernces

• 1、 Balaban, Teodor Silviu,Hiegemann, Monika. "Hydrogen peroxide oxidation of polysubstituted pyrylium salts: Formation of enol esters and furans". . p. 9827 - 9840. Retrieved 2007/10/02.
• 2、 Robin, D.,Hoppilliard, Y.,Audier, H.. "Gas-phase Alkylation of 2-Methylfuran under Chemical Ionization Conditions". . p. 370 - 374. Retrieved 2007/10/02.