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Furfural

Base Information
  • Chemical Name:Furfural
  • CAS No.:98-01-1
  • Molecular Formula:C5H4O2
  • Molecular Weight:96.0856
  • Hs Code.:2932 12 00
  • European Community (EC) Number:202-627-7
  • ICSC Number:0276
  • NSC Number:8841
  • UN Number:1199
  • UNII:DJ1HGI319P
  • DSSTox Substance ID:DTXSID1020647
  • Nikkaji Number:J3.981K
  • Wikipedia:Furfural
  • Wikidata:Q412429
  • Metabolomics Workbench ID:45777
  • ChEMBL ID:CHEMBL189362
  • Mol file:98-01-1.mol
Furfural

Synonyms:Furaldehyde;Furfural

Suppliers and Price of Furfural
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • Furfural
  • 50ml
  • $ 319.00
  • TRC
  • Furfural
  • 150ml
  • $ 185.00
  • TRC
  • Furfural
  • 100ml
  • $ 120.00
  • TRC
  • Furfural(1mg/LinAcetonitrile)
  • 10x1ml
  • $ 55.00
  • TCI Chemical
  • Furfural >98.0%(GC)
  • 25g
  • $ 22.00
  • TCI Chemical
  • Furfural >98.0%(GC)
  • 500g
  • $ 52.00
  • SynQuest Laboratories
  • 2-Furaldehyde
  • 250 g
  • $ 74.00
  • SynQuest Laboratories
  • 2-Furaldehyde
  • 1 kg
  • $ 103.00
  • Sigma-Aldrich
  • Furfural Furfural for synthesis. CAS 98-01-1, molar mass 96.08 g/mol., for synthesis
  • 8040120500
  • $ 34.20
  • Sigma-Aldrich
  • Furfural for synthesis
  • 500 mL
  • $ 32.74
Total 4 raw suppliers
Chemical Property of Furfural
Chemical Property:
  • Appearance/Colour:colourless to reddish-brown oily liquid with almond odour 
  • Vapor Pressure:13.5 mm Hg ( 55 °C) 
  • Melting Point:-36 °C(lit.) 
  • Refractive Index:n20/D 1.527  
  • Boiling Point:161.799 °C at 760 mmHg 
  • Flash Point:58.333 °C 
  • PSA:30.21000 
  • Density:1.145 g/cm3 
  • LogP:1.09210 
  • Storage Temp.:2-8°C 
  • Sensitive.:Air Sensitive 
  • Solubility.:95% ethanol: soluble1ML/mL, clear 
  • Water Solubility.:8.3 g/100 mL 
  • XLogP3:0.4
  • 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
  • Transport DOT Label:Poison Flammable Liquid
Purity/Quality:

≥98.5% *data from raw suppliers

Furfural *data from reagent suppliers

Safty Information:
  • Pictogram(s): ToxicT,IrritantXi 
  • Hazard Codes:T,Xi 
  • Statements: 21-23/25-36/37-40-36/37/38 
  • Safety Statements: 26-36/37/39-45-1/2-36/37 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Other Classes -> Aldehydes
  • Canonical SMILES:C1=COC(=C1)C=O
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance is mildly irritating to the skin. The substance is irritating to the eyes and respiratory tract. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis.
  • Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the liver. Tumours have been detected in experimental animals but may not be relevant to humans.
  • General Description Furfural, also known as 2-furaldehyde or furan-2-carbaldehyde, is a renewable platform chemical derived from agricultural waste such as rice straw. It serves as a versatile precursor in organic synthesis, particularly for producing pharmaceutical intermediates like (2S)-phenyl-3-piperidone, a key building block for drugs. Its applications include asymmetric catalysis, rearrangement reactions, and hydrogenation processes, offering a sustainable alternative to petrochemical-derived starting materials while addressing environmental concerns. Additionally, furfural derivatives, such as 2-furaldehyde, are utilized in the synthesis of bioactive molecules like substituted isoquinolines and furanylalanine analogs, demonstrating its broad utility in medicinal and synthetic chemistry.
Technology Process of Furfural

There total 476 articles about Furfural 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:
Guidance literature:
With 1,3-bis-(diphenylphosphino)propane; caesium carbonate; bis(1,5-cyclooctadiene)diiridium(I) dichloride; In toluene; at 150 ℃; for 72h;
DOI:10.1002/ejoc.200600070
Guidance literature:
methanol; D-Fructose; Amberlist 15; In water; at 60 ℃; for 3h;
ZSM-12; In methanol; water; at 180 ℃; for 12h; under 48754.9 Torr;
Guidance literature:
aluminium(III) triflate; at 150 ℃; for 1h; under 9375.94 Torr; Product distribution / selectivity;
Refernces

Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs

10.1039/c4cc02645d

The study presents an efficient synthetic route to produce tosyl-protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs, from biomass-derived furfural. Furfural, a platform chemical derived from agricultural waste like rice straw, is transformed into the piperidone core structure through a series of reactions involving 4-methylbenzenesulfonamide, a Lewis acid catalyst, and a rhodium-catalyzed asymmetric arylation. The aza-Achmatowicz rearrangement and hydrogenation steps further convert the intermediate into the desired piperidone. The synthetic utility of this piperidone is demonstrated by synthesizing a NK1 receptor antagonist. This method is advantageous due to its short synthetic route, high yield, minimal loss of optical purity, and the use of a renewable biomass-derived starting material, addressing sustainability and environmental concerns associated with traditional methods and the disposal of agricultural waste.

Synthesis of enantiopure highly substituted trans-8a- hydroxydecahydroisoquinolines by sequential diastereoselective IMDA reaction and oxanorbornene nucleophilic ring opening

10.1021/jo981075c

The research focuses on the synthesis of enantiopure highly substituted trans-8a-hydroxydecahydroisoquinolines, which are significant components of over 500 alkaloids and hold synthetic interest due to their potential biological activity. The study employs a diastereoselective approach involving a sequential intramolecular Diels-Alder (IMDA) reaction and oxanorbornene nucleophilic ring opening, utilizing chiral perhydrobenzoxazines derived from (-)-8-aminomenthol as a chirality inductor. Key chemicals in the process include 2-furaldehyde, (-)-8-((3′-butenyl)amino)menthol, aluminum hydride, pyridinium chlorochromate (PCC), potassium hydroxide, and triethylaluminum, among others. The method allows for the introduction of different substituents at C-1 and C-8 in the final isoquinolines regio- and stereoselectively, leading to the synthesis of a variety of enantiopure isoquinoline derivatives with four stereocenters, three of which are contiguous, and with known absolute configuration. The conclusions of the research highlight the efficiency of this concise and stereocontrolled synthetic method for potentially important biologically active molecules, demonstrating a five-step synthesis from the easily accessible (-)-8-aminomenthol.

2-amino-3-(5-phenylfuran-2-yl)propionic acids and 5-phenylfuran-2-ylacrylic acids are novel substrates of phenylalanine ammonia-lyase

10.3987/COM-10-S(E)60

The research focused on the synthesis and characterization of 2-amino-3-(5-phenylfuran-2-yl)propionic acids and 5-phenylfuran-2-ylacrylic acids, which were found to be novel substrates for phenylalanine ammonia-lyase (PAL). The purpose of the study was to explore the enzyme's ability to catalyze the conversion of these compounds and to isolate their D- and L-enantiomers. The researchers synthesized the compounds and characterized them using various spectroscopic techniques. They then used recombinant PAL to convert the racemic mixtures into their corresponding acrylates, from which the D-enantiomers were isolated. Conversely, L-enantiomers were prepared by reversing the PAL reaction in the presence of 6 M ammonia at pH 10. The study concluded that these new compounds are good substrates for recombinant PAL and can be resolved into their enantiomers through biocatalysis. The chemicals used in the process included various anilines, furan-2-carbaldehyde, triphenyl-λ5-phosphanilidene acetic acid ethyl ester, and other reagents and solvents for the synthesis and characterization of the novel furanylalanines.

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