3-Pentanone, 1,5-di-2-furanyl-

Base Information

• Chemical Name: 3-Pentanone, 1,5-di-2-furanyl-
• CAS No.: 6075-11-2
• Molecular Formula: C13H14O3
• Molecular Weight: 218.252
• Hs Code.: 2932190090
• European Community (EC) Number: 228-011-8
• NSC Number: 18533
• UNII: E5VFV242FB
• DSSTox Substance ID: DTXSID8052273
• Nikkaji Number: J49.950A
• Wikidata: Q81984989
• ChEMBL ID: CHEMBL1733763
• Mol file: 6075-11-2.mol

Synonyms:3-Pentanone, 1,5-di-2-furanyl-;1,5-Di-2-furylpentan-3-one;6075-11-2;3-Pentanone, 1,5-di-2-furyl-;E5VFV242FB;MLS002638598;1,5-Di-2-furyl-3-pentanone;WLN: T5OJ B2V2- BT5OJ;EINECS 228-011-8;NSC 18533;NSC-18533;BRN 0200601;AI3-19485;NSC18533;1,5-bis(furan-2-yl)pentan-3-one;1,5-difurylpentan-3-one;UNII-E5VFV242FB;1,3-DIFURFURYLACETONE;3-Pentanone,5-di-2-furyl-;3-Pentanone,5-di-2-furanyl-;CHEMBL1733763;DTXSID8052273;SCHEMBL11011624;1,5-Di(2-furanyl)-3-pentanone;1,5-DIFURYL-3-PENTANONE;HMS3088E19;1,5-DI-2-FURANYL-3-PENTANONE;SMR001548070;LS-101943;5-19-04-00345 (Beilstein Handbook Reference)

Chemical Property of 3-Pentanone, 1,5-di-2-furanyl-

Chemical Property:

• Vapor Pressure: 0.000643mmHg at 25°C
• Boiling Point: 309.3°C at 760 mmHg
• Flash Point: 142°C
• PSA: 43.35000
• Density: 1.118g/cm³
• LogP: 3.00710
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=COC(=C1)CCC(=O)CCC2=CC=CO2

Technology Process of 3-Pentanone, 1,5-di-2-furanyl-

There total 19 articles about 3-Pentanone, 1,5-di-2-furanyl- 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%

(E,E)-1,5-di-(2-furyl)pent-1,4-dien-3-one (886-77-1,144850-49-7,26375-43-9) → 1,5-di(furan-2-yl)pentan-3-one (6075-11-2)

Guidance literature:

With hydrogen; nickel-titanium-aluminum; In N,N-dimethyl-formamide; under 15200 - 91200.1 Torr;

DOI:10.1007/BF00506028

Reference yield: 80.9%

1,5-bis-(2-furanyl)-1,4-pentandien-3-one (886-77-1,144850-49-7,26375-43-9) → 1,5-di(furan-2-yl)pentan-3-one (6075-11-2) + 1(α-furyl)-5-(α-tetrahydrofuryl)pentan-3-one (75937-84-7)

Guidance literature:

With 5% Pt/γ-Al2O3; hydrogen; In neat (no solvent); at 70 ℃; for 5h; under 37503.8 Torr; Reagent/catalyst; Autoclave;

DOI:10.1002/cssc.201701200

Reference yield: 39.6%

1,5-bis-(2-furanyl)-1,4-pentandien-3-one (886-77-1,144850-49-7,26375-43-9) → 2-(2-tetrahydrofurylethyl)-1,6-dioxaspiro[4.4]nonane (63917-47-5) + 1,5-di(tetrahydrofuran-2-yl)pentan-3-one (21133-22-2) + 1,5-di(furan-2-yl)pentan-3-one (6075-11-2) + 1-(2-tetrahydrofuryl)-5-(2-furyl)-3-pentanol (1221547-01-8) + 1(α-furyl)-5-(α-tetrahydrofuryl)pentan-3-one (75937-84-7)

Guidance literature:

With palladium on silica gel; hydrogen; In neat (no solvent); at 70 ℃; for 5h; under 37503.8 Torr; Autoclave;

DOI:10.1002/cssc.201701200

upstream raw materials:

(E,E)-1,5-di-(2-furyl)pent-1,4-dien-3-one

difurfurylideneacetone

ethanol

methyl iodide

Downstream raw materials:

1,5-di(2-tetrahydrofuryl)-3-pentanol

9-tetrahydro[2]furyl-nonane-1,4,7-triol

tridecane-1,4,7,10,13-pentaol

Refernces

• 1、 Faba, Laura,Díaz, Eva,Vega, Aurelio,Ordó?ez, Salvador. "Hydrodeoxygenation of furfural-acetone condensation adducts to tridecane over platinum catalysts". . p. 132 - 139. Retrieved 2016/05/11.
• 2、 Mat'yakubov, R.,Mamatov, Yu. M.. "EFFECT OF THE NATURE OF THE SOLVENT ON THE RATE AND MECHANISM OF THE CATALYTIC HYDROGENATION OF DIFURFURYLIDENEACETONE". . p. 651 - 655. Retrieved 2007/10/02.