1-(Furan-2-yl)pentane-1,4-dione

Base Information

• Chemical Name: 1-(Furan-2-yl)pentane-1,4-dione
• CAS No.: 52786-29-5
• Molecular Formula: C9H10O3
• Molecular Weight: 166.17400
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID00372436
• Nikkaji Number: J671.583D
• Wikidata: Q82160148
• Mol file: 52786-29-5.mol

Synonyms:1-(furan-2-yl)pentane-1,4-dione;52786-29-5;1-(2-furyl)-1,4-pentanedione;1-(2-Furyl)pentane-1,4-dione;MFCD01316230;Maybridge1_008036;SCHEMBL8962313;HMS564F06;DTXSID00372436;CHEBI:183687;VUPORCYUDRXENX-UHFFFAOYSA-N;1-(2-Furanyl)-1,4-pentanedione;1-(uran-2-yl)pentane-1,4-dione;CCA78629;CCG-53026;AKOS005093164;4N-342S;CS-0322977;SR-01000642219-1

Chemical Property of 1-(Furan-2-yl)pentane-1,4-dione

Chemical Property:

• Melting Point: 45-46 °C(Solv: carbon tetrachloride (56-23-5))
• Boiling Point: 290.0±20.0 °C(Predicted)
• PSA: 47.28000
• Density: 1.104±0.06 g/cm3(Predicted)
• LogP: 1.83150
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

1-(Furan-2-yl)pentane-1,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Furan-2-yl)pentane-1,4-dione

There total 5 articles about 1-(Furan-2-yl)pentane-1,4-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: 98.0%

furfural (98-01-1) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-(furan-2-yl)pentane-1,4-dione (52786-29-5)

Guidance literature:

With acetate de sodium anhydre; iodure de dimethyl-3,4(hydroxyethyl-2)-5 thiazolium-1,3; triethylamine; In ethanol; for 0.75h; Heating;

Reference yield: 56.0%

1-tributylstannanyl-propan-2-one (14583-98-3) + tert-butyldimethyl((1-(furan-2-yl)vinyl)oxy)silane (111886-29-4) → 1-(furan-2-yl)pentane-1,4-dione (52786-29-5)

Guidance literature:

With tetrabutylammonium hexanitratocerate(IV); potassium carbonate; In acetonitrile; at 0 ℃; for 2h;

DOI:10.1246/bcsj.68.322

Reference yield:

1-(furan-2-yl)pent-2-yne-1,4-diol (946401-60-1) → 1-(furan-2-yl)pentane-1,4-dione (52786-29-5) + (furyl-2')-2 methyl-5 furanne (16303-61-0)

Guidance literature:

With benzoic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 110 ℃; for 24h; Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.05.069

upstream raw materials:

furfural

methyl vinyl ketone

1-tributylstannanyl-propan-2-one

tert-butyldimethyl((1-(furan-2-yl)vinyl)oxy)silane

Downstream raw materials:

2-(2-furyl)-5-methyl-1-phenylpyrrole

3-(2-Furoyl)-1-phenyl-4-(2,4,5-trimethyl-1,3-dioxolan-2-yl)-1-butanon

3-(2-Furoyl)-1-phenyl-1,5-hexandion

5-(2-Furoyl)-3-phenyl-2-cyclohexen-1-on