3-Furoic acid

Base Information

• Chemical Name: 3-Furoic acid
• CAS No.: 488-93-7
• Molecular Formula: C5H4O3
• Molecular Weight: 112.085
• Hs Code.: 29321900
• European Community (EC) Number: 207-689-9
• NSC Number: 349941
• UNII: 88A3S7RG98
• DSSTox Substance ID: DTXSID50197611
• Nikkaji Number: J64G
• Wikidata: Q21045227
• Metabolomics Workbench ID: 37252
• Mol file: 488-93-7.mol

Synonyms:3-FUROIC ACID;furan-3-carboxylic acid;488-93-7;3-Furancarboxylic acid;3-carboxyfuran;3-Furanoic acid;MFCD00005350;UNII-88A3S7RG98;88A3S7RG98;EINECS 207-689-9;NSC 349941;NSC-349941;3-Furanoate;3-FUROICACID;3-furan carboxylic acid;3-Furoic acid, 98%;Furan-3 -carboxylic acid;bmse000842;SCHEMBL142183;Furan-3-Carboxylic Acid,(S);CHEBI:30846;DTXSID50197611;BCP26912;CS-D0170;BBL025800;GEO-01450;NSC349941;s6097;STK503655;AKOS000121066;AC-4439;PB30525;PS-4247;SB20113;BP-13035;HY-21075;SY003999;3-Furoic acid, purum, >=98.0% (T);AM20100204;F0304;FT-0615764;EN300-23735;J-640051;J-800053;Q-200381;F2191-0244;Z164706016

Chemical Property of 3-Furoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0386mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Refractive Index: 1.4710 (estimate)
• Boiling Point: 229.638 °C at 760 mmHg
• PKA: 3.9(at 25℃)
• Flash Point: 92.682 °C
• PSA: 50.44000
• Density: 1.322 g/cm³
• LogP: 0.97780
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 1
• 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

3-Furoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=COC=C1C(=O)O
• Description: 3-Furoic acid, also known as 3-carboxyfuran or 3-furoate, belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. It is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats.
• Uses: 3-Furoic acid can be used as a reactant to synthesize:Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction.(±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases. 3-Furoic acid is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats. 3-Furoic acid can be used as a reactant to synthesize: Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. (±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases.

Technology Process of 3-Furoic acid

There total 35 articles about 3-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: 86.0%

furan-3-carboxaldehyde (498-60-2) → 3-Furoic acid (488-93-7)

Guidance literature:

With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; In acetonitrile; at 20 ℃;

DOI:10.1002/adsc.201300034

Reference yield: 86.0%

furan-3-methanol (4412-91-3) → 3-Furoic acid (488-93-7)

Guidance literature:

With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02188

Reference yield: 81.0%

Furan-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester (119670-68-7) → 3-Furoic acid (488-93-7)

Guidance literature:

With sodium hydrogen telluride; In N,N-dimethyl-formamide; for 0.333333h; Ambient temperature;

upstream raw materials:

3-iodofuran

furan-3-carboxaldehyde

furan-3,4-dicarboxylic acid

furan-2,3-dicarboxylic acid

Downstream raw materials:

methyl furan-3-carboxylate

ethyl 3-furancarboxylate

furan-3-methanol

furan-3-carbonyl chloride