2-Acetyl-3,5-dimethylfuran

Base Information

• Chemical Name: 2-Acetyl-3,5-dimethylfuran
• CAS No.: 22940-86-9
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.166
• Hs Code.: 2932190090
• European Community (EC) Number: 607-185-2
• UNII: 1MFL8Z7ZBB
• DSSTox Substance ID: DTXSID20177485
• Nikkaji Number: J1.406.846E
• Wikidata: Q27252610
• Metabolomics Workbench ID: 45302
• Mol file: 22940-86-9.mol

Synonyms:1-(3,5-dimethylfuran-2-yl)ethanone;22940-86-9;2-Acetyl-3,5-dimethylfuran;1-(3,5-Dimethyl-2-furyl)ethanone;ethanone, 1-(3,5-dimethyl-2-furanyl)-;FEMA No. 4071;1-(3,5-dimethylfuran-2-yl)ethan-1-one;UNII-1MFL8Z7ZBB;1MFL8Z7ZBB;Ketone, 3,5-dimethyl-2-furyl methyl;3,5-Dimethyl-2-furyl methyl ketone;MFCD00052576;EC-000.1481;2-Acetyl-3,5-dimethyl furan;SCHEMBL9590560;SQWQZVDNBPEROH-UHFFFAOYSA-;DTXSID20177485;CHEBI:179264;1-(3,5-dimethyluran-2-yl)ethanone;AKOS006274859;CS-W021212;DS-5327;SB61064;1-(3,5-Dimethyl-2-furyl)ethanone #;2-ACETYL-3,5-DIMETHYLFURAN [FHFI];BB 0263285;FT-0699594;C74181;EN300-325194;A878377;Q27252610

Chemical Property of 2-Acetyl-3,5-dimethylfuran

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• Melting Point: 18 °C
• Refractive Index: 1.472
• Boiling Point: 209.8°Cat760mmHg
• Flash Point: 89.7°C
• PSA: 30.21000
• Density: 1.013g/cm³
• LogP: 2.09900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

95% ^*data from raw suppliers

1-(3,5-Dimethylfuran-2-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C(=O)C)C
• Description: Colorless liquid to solid; sweet balsamic aroma.

Technology Process of 2-Acetyl-3,5-dimethylfuran

There total 2 articles about 2-Acetyl-3,5-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:

→ 3,5-dimethyl-2-furyl methyl ketone (22940-86-9)

Guidance literature:

2.4.6-Trimethyl-pyrylium-perchlorat, 30percent H2O2;

Reference yield:

3,5-dimethyl-2-furyl methyl ketone (22940-86-9) → 2-(3,5-dimethyl-2-furanyl)piperazine (111781-41-0)

Guidance literature:

With selenium(IV) oxide; ethylenediamine; In 1,4-dioxane; sodium borohydrid; ethanol; water; toluene;

upstream raw materials:

2,4,6-trimethylpyrylium tetrafluoroborate

Downstream raw materials:

2-(3,5-dimethyl-2-furanyl)piperazine

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.