1-(2-Furyl)propane-1,2-dione

Base Information

• Chemical Name: 1-(2-Furyl)propane-1,2-dione
• CAS No.: 1438-92-2
• Molecular Formula: C7H6O3
• Molecular Weight: 138.123
• Hs Code.: 2932190090
• European Community (EC) Number: 215-875-6
• UNII: LLT7R6QD5B
• DSSTox Substance ID: DTXSID20162553
• Nikkaji Number: J298.625F
• Wikidata: Q27283058
• Metabolomics Workbench ID: 45783
• Mol file: 1438-92-2.mol

Synonyms:1-(2-Furyl)propane-1,2-dione;1438-92-2;1-(2-furyl)-1,2-propanedione;alpha-Furyl methyl diketone;1-(furan-2-yl)propane-1,2-dione;EINECS 215-875-6;UNII-LLT7R6QD5B;LLT7R6QD5B;1-(2-Furanyl)-1,2-Propanedione;1,2-Propanedione, 1-(2-furanyl)-;a-Furyl methyl diketone;(2-furyl)-1,2-propanedione;SCHEMBL11538258;DTXSID20162553;CHEBI:173576;1-(uran-2-yl)propane-1,2-dione;AKOS020762192;1-(2'-FURYL)PROPANE-1,2-DIONE;1,2-PROPANEDIONE, 1-(2-FURYL)-;Q27283058

Chemical Property of 1-(2-Furyl)propane-1,2-dione

Chemical Property:

• Vapor Pressure: 0.354mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 198.8 °C at 760 mmHg
• Flash Point: 81.1 °C
• PSA: 47.28000
• Density: 1.176 g/cm³
• LogP: 1.05130
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.031694049
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=O)C1=CC=CO1

Technology Process of 1-(2-Furyl)propane-1,2-dione

There total 4 articles about 1-(2-Furyl)propane-1,2-dione 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: 87.0%

2-(prop-1-ynylsulfonyl)furan → 1-(furan-2-yl)propane-1,2-dione (1438-92-2)

Guidance literature:

2-(prop-1-ynylsulfonyl)furan; With 2-(tert-butyl)-6-chloropyridine 1-oxide; at 20 ℃; for 0.166667h; Molecular sieve; Sealed tube;

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold bis(trifluoromethanesulfonyl)imidate; at 60 ℃; for 12h; regiospecific reaction; Molecular sieve; Sealed tube;

DOI:10.1002/anie.201504511

Reference yield: 16.0%

furfural (98-01-1) + acetic anhydride (108-24-7) → 1-(furan-2-yl)propane-1,2-dione (1438-92-2) + dimethylglyoxal (431-03-8)

Guidance literature:

cobalt(II) chloride; In acetonitrile; for 24h; Ambient temperature;

DOI:10.1039/c39870000692

Reference yield:

2-propionylfuran (3194-15-8) + 1-furan-2-yl-propan-2-one (6975-60-6) → 1-(furan-2-yl)propane-1,2-dione (1438-92-2)

Guidance literature:

With 1,4-dioxane; selenium(IV) oxide;

upstream raw materials:

2-propionylfuran

1-furan-2-yl-propan-2-one

furfural

acetic anhydride

Downstream raw materials:

2,5-Dimethyl-2-(furoyl-2)-1-hydroxy-4-phenyl-3-imidazoline 3-oxide

Refernces

• 1、 Ahmad, Saeed,Iqbal, Javed. "Cobalt(II) Chloride Catalysed Coupling of Acetic Anhydride with Aldehydes. A Novel Synthesis of Asymmetrical 1,2-Diones". . p. 692 - 693. Retrieved 2007/10/02.