2,5-Dimethyl-3(2H)-furanone

Base Information

• Chemical Name: 2,5-Dimethyl-3(2H)-furanone
• CAS No.: 14400-67-0
• Deprecated CAS: 149310-61-2
• Molecular Formula: C6H8 O2
• Molecular Weight: 112.128
• Hs Code.: 29321900
• European Community (EC) Number: 238-365-5
• UNII: 73O869QGB2
• DSSTox Substance ID: DTXSID40864502
• Nikkaji Number: J217.003E
• Wikidata: Q27266196
• Metabolomics Workbench ID: 45349
• Mol file: 14400-67-0.mol

Synonyms:2,3-Dihydro-2,5-dimethyl-3-furanone;2,5-Dimethyl-2,3-dihydrofuran-3-one; 2,5-Dimethyl-2H-furan-3-one;2,5-Dimethyl-3(2H)furanone

Chemical Property of 2,5-Dimethyl-3(2H)-furanone

Chemical Property:

• Appearance/Colour: yellow liquid
• Vapor Pressure: 1.55mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 169.4°Cat760mmHg
• Flash Point: 60.9°C
• PSA: 26.30000
• Density: 1.042g/cm³
• LogP: 0.87800
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethyl-3(2H)-furanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)C=C(O1)C

Technology Process of 2,5-Dimethyl-3(2H)-furanone

There total 13 articles about 2,5-Dimethyl-3(2H)-furanone 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%

(3-methyl-5-isoxazolyl)-1-ethanol (71502-43-7) → 2,5-dimethyl-2,3-dihydrofuran-3-one (14400-67-0,149310-61-2)

Guidance literature:

(3-methyl-5-isoxazolyl)-1-ethanol; With hydrogen; palladium on activated charcoal; In methanol; for 10h;

With hydrogenchloride; In water; for 3h;

DOI:10.1016/S0040-4020(03)00776-2

Reference yield: 51.0%

3-hydroxyhexane-2,5-dione (61892-85-1,1186049-29-5) → 2,5-dimethyl-2,3-dihydrofuran-3-one (14400-67-0,149310-61-2)

Guidance literature:

With sodium acetate; In acetic acid; for 3h; Heating;

Reference yield: 50.0%

2-hydroxymethyl-2,5-dimethyl-furan-3-one (14400-69-2) → 2,5-dimethyl-2,3-dihydrofuran-3-one (14400-67-0,149310-61-2)

Guidance literature:

With ammonia; sodium amide;

DOI:10.1055/s-2004-831300

upstream raw materials:

3-methoxy-2,5-dimethyl-furan

1-(3-methyl-4,5-dihydro-isoxazol-5-yl)-ethanone

3-hydroxyhexane-2,5-dione

5-hydroxyhex-3-yn-2-one

Downstream raw materials:

5-methyl-1-(2-nitrophenyl)pyrazol-3-one

2,2'-(p-phenylene)-bis(3-methyl-3-pyrazolin-5-one)

2,2'-(m-phenylene)-bis(3-methyl-3-pyrazolin-5-one)

m-phenylene-bis(2-azo-2,5-dimethyl-3-furanone)

Refernces

• 1、 Venturello,D'Aloisio. "". . p. 754. Retrieved 1977.
• 2、 Caine, Drury S.,Arant, Mark E.. "Further enolate alkylation studies of 2,5-dimethyl-3(2H)-furanone". . p. 2081 - 2086. Retrieved 2007/10/03.
• 3、 Inoue, Y.,Ohuchi, K.,Imaizumi, S.,Hagiwara, H.,Uda, H.. "New Syntheses of Geiparvarin and 2,5-Dimethyl-3(2H)-furanone via CO2 Mediated Bond Reorganization". . p. 3063 - 3068. Retrieved 2007/10/02.