5-Butyl-2(3H)-furanone

Base Information

• Chemical Name: 5-Butyl-2(3H)-furanone
• CAS No.: 31450-61-0
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• DSSTox Substance ID: DTXSID20953468
• Nikkaji Number: J2.977.613J
• Wikidata: Q82932345
• Mol file: 31450-61-0.mol

Synonyms:5-Butyl-2(3H)-furanone;BRN 4378551;2(3H)-Furanone, 5-butyl-;5-butylfuran-2(3H)-one;31450-61-0;5-butyl-3H-furan-2-one;DTXSID20953468;5-BUTYLDIHYDRO-2-FURANONE;5-Butyl-2,3-dihydrofuran-2-one;LS-70331

Chemical Property of 5-Butyl-2(3H)-furanone

Chemical Property:

• Vapor Pressure: 0.00468mmHg at 25°C
• Boiling Point: 276.9°Cat760mmHg
• Flash Point: 110.8°C
• Density: 1.014g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CCC(=O)O1

Technology Process of 5-Butyl-2(3H)-furanone

There total 2 articles about 5-Butyl-2(3H)-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: 62.0%

methyl octa-2,3-dienoate (71277-73-1) → 5-butylfuran-2(5H)-one (30336-14-2,70404-04-5) + 5-butylfuran-2-(3H)-one (31450-61-0)

Guidance literature:

methyl octa-2,3-dienoate; With water; lithium hydroxide; In tetrahydrofuran;

With silver nitrate; In acetone;

DOI:10.1021/ja205674x

Reference yield:

4-oxooctanoic acid (4316-44-3) → 5-butylfuran-2(5H)-one (30336-14-2,70404-04-5) + 5-butylfuran-2-(3H)-one (31450-61-0)

Guidance literature:

With acetic anhydride; for 1h; Heating;

DOI:10.1007/BF00546727

Reference yield: 95.0%

4-nitrobenzenediazonium chloride (100-05-0) + 5-butylfuran-2-(3H)-one (31450-61-0) → 5-butyl-3-[2-(4-nitrophenyl)hydrazinylidene]-furan-2(3H)-one (1408325-64-3)

Guidance literature:

In ethanol; at -5 - 0 ℃;

DOI:10.1134/S107042801209014X

upstream raw materials:

4-oxooctanoic acid

methyl octa-2,3-dienoate

Downstream raw materials:

5-Butyl-3-[1-phenyl-meth-(E)-ylidene]-3H-furan-2-one

5-butyl-3H-thiophen-2-one

5-butyl-5-(3,5-dimethylphenyl)furan-2-one

5-butyl-3-[2-(4-nitrophenyl)hydrazinylidene]-furan-2(3H)-one