3-Furaldehyde

Base Information

• Chemical Name: 3-Furaldehyde
• CAS No.: 498-60-2
• Molecular Formula: C5H4O2
• Molecular Weight: 96.0856
• Hs Code.: 2932190090
• European Community (EC) Number: 629-448-0
• UNII: POB632X444
• DSSTox Substance ID: DTXSID40198076
• Nikkaji Number: J95.449G
• Wikidata: Q27159772
• Metabolomics Workbench ID: 127373
• ChEMBL ID: CHEMBL2228160
• Mol file: 498-60-2.mol

Synonyms:3-Furylcarboxaldehyde;3-Furylaldehyde;3-Furfural;3-Formylfuran;3-Furaldehyde(7CI,8CI);Furan-3-carbaldehyde;

Chemical Property of 3-Furaldehyde

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 4.88mmHg at 25°C
• Melting Point: 148-149.5 °C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 145.3 °C at 760 mmHg
• Flash Point: 48.3 °C
• PSA: 30.21000
• Density: 1.145 g/cm³
• LogP: 1.09210
• Storage Temp.: 2-8°C
• Sensitive.: Air & Light Sensitive
• Water Solubility.: Soluble in water, benzene, chloroform, alcohol and ether.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 96.021129366
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

98% ^*data from raw suppliers

3-Furaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F, T
• Hazard Codes: Xi,F,T
• Statements: 10-36/37/38-23/25-21
• Safety Statements: 26-36-45-36/37-16-3

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: C1=COC=C1C=O
• Uses: 3-Furaldehyde is a volatile compound of honey of various floral origin. It is used to produce N-furan-3-ylmethylene-N'-pyridin-2-yl-hydrazine by reaction with 2-hydrazino-pyridine. It is also used as a solvent.

Technology Process of 3-Furaldehyde

There total 29 articles about 3-Furaldehyde 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%

3-Diacetoxymethyl-furan (859077-01-3) → furan-3-carboxaldehyde (498-60-2)

Guidance literature:

With iron(II) sulfate; In benzene; for 0.25h; Heating;

DOI:10.1080/00304949809355312

Reference yield: 90.0%

furan-3-methanol (4412-91-3) → furan-3-carboxaldehyde (498-60-2)

Guidance literature:

With 4,4'-bis-(dichloroiodo)-biphenyl; tetraethylammonium bromide; In chloroform; at 20 ℃; for 0.75h;

DOI:10.1080/00397910600978242

Reference yield: 69.0%

Methyl 3-(3'-furanyl)prop-2-en-1-oate (99595-62-7) → furan-3-carboxaldehyde (498-60-2)

Guidance literature:

With oxygen; palladium diacetate; toluene-4-sulfonic acid; In water; at 100 ℃; for 24h; under 6080.41 Torr; Autoclave;

DOI:10.1021/jo100125q

upstream raw materials:

furan-3-carbonyl chloride

3-iodofuran

carbon monoxide

furan-3-methanol

Downstream raw materials:

furfuraldehyde phenylhydrazone

3-Furoic acid

4-Diacetoxymethyl-2-nitro-furan

(2RS,6SR)-2-<(SR)-3-furylhydroxymethyl>-2,6-dimethylcyclohexanone

Refernces

• 1、 Kumar, Kamlesh,Joshi, Penny,Rawat, Diwan S. "(±)-Camphor sulfonic acid assisted IBX based oxidation of 1° and 2° alcohols". . . Retrieved 2021/09/02.
• 2、 -. "Peptidylarginine deiminase inhibitor and application thereof". Paragraph 0834; 0839; 0840; 0841. . Retrieved 2019/09/10.