2-Furoic acid

Base Information

• Chemical Name: 2-Furoic acid
• CAS No.: 88-14-2
• Molecular Formula: C5H4O3
• Molecular Weight: 112.085
• Hs Code.: 29321900
• European Community (EC) Number: 201-803-0,247-713-5
• NSC Number: 8842
• UNII: P577F6494A
• DSSTox Substance ID: DTXSID6041420
• Nikkaji Number: J4.288I
• Wikipedia: 2-Furoic_acid
• Wikidata: Q2210953
• Metabolomics Workbench ID: 37334
• ChEMBL ID: CHEMBL1232797
• Mol file: 88-14-2.mol

Synonyms:2-furancarboxylic acid;2-furoic acid;2-furoic acid, sodium salt;furan-2-carboxylate;furan-2-ylacetate;furan-3-carboxylic

Chemical Property of 2-Furoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.033mmHg at 25°C
• Melting Point: -2 °C(lit.)
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 232.14 °C at 760 mmHg
• PKA: 3.16(at 25℃)
• Flash Point: 94.195 °C
• PSA: 50.44000
• Density: 1.322 g/cm³
• LogP: 0.97780
• Storage Temp.: Store below +30°C.
• Solubility.: 37g/l
• Water Solubility.: 36 g/L (20 ºC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.016043985
• Heavy Atom Count: 8
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

2-Furoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)O
• Uses: 2-Furoic acid is an heterocyclic carboxylic acid that is widely used in food products as a preservative and flavouring agent. It is also used in the synthesis of methylfuran, furoamide and furoic acid esters and salts. In the plastics industry, it can be used as plasticizer, thermosetting resin, etc. substitute for chloropicrin in disinfecting grain elevators.

Technology Process of 2-Furoic acid

There total 205 articles about 2-Furoic acid 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: 99.0%

furfural (98-01-1) → 2-furanoic acid (88-14-2)

Guidance literature:

With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene; In water; at 50 ℃; for 12h; under 760.051 Torr; Sealed tube;

DOI:10.1002/anie.201604847

Reference yield: 99.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → 2-furanoic acid (88-14-2)

Guidance literature:

With manganese(IV) oxide; oxygen; sodium hydrogencarbonate; In water; at 100 ℃; for 24h; under 7500.75 Torr;

DOI:10.1002/cssc.201601443

Reference yield: 96.0%

furoin (552-86-3) → 2-furanoic acid (88-14-2)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); magnesium sulfate; In acetonitrile; for 1.5h; Heating;

DOI:10.1081/SCC-120026309

upstream raw materials:

furan

octane

n-pentylsodium

pyridine

Downstream raw materials:

ethyl 2-furanacetate

2-furoic acid methyl ester

propyl furan-2-carboxylate

acetic acid-(furan-2-carboxylic acid )-anhydride

Refernces

• 1、 Centi, Gabriele,Cozza, Daniela,Giordano, Girolamo,Giorgianni, Gianfranco,Lanzafame, Paola,Migliori, Massimo,Papanikolaou, Georgia,Perathoner, Siglinda. "High performance of Au/ZTC based catalysts for the selective oxidation of bio-derivative furfural to 2-furoic acid 1". . . Retrieved 2021.
• 2、 -. "Preparation method of furoic acid". Paragraph 0065-0096. . Retrieved 2021/05/12.
• 3、 -. "Preparation method of furoic acid". Paragraph 0022-0055. . Retrieved 2021/02/10.