2-Methyl-3-furoic acid

Base Information

• Chemical Name: 2-Methyl-3-furoic acid
• CAS No.: 6947-94-0
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• Hs Code.: 29321900
• European Community (EC) Number: 614-978-7
• NSC Number: 55881
• DSSTox Substance ID: DTXSID50288452
• Nikkaji Number: J957.234A
• Wikidata: Q72490999
• Mol file: 6947-94-0.mol

Synonyms:2-methyl-3-furoic acid;2-methylfuran-3-carboxylic acid;6947-94-0;2-methyl-3-furancarboxylic acid;3-Furancarboxylic acid, 2-methyl-;2-Methyl-furan-3-carboxylic acid;2-Methyl-3-furioc acid;2-METHYL-3-FUROICACID;3-Furancarboxylic acid,2-methyl-;NSC55881;SCHEMBL757449;2-methylfuran-3-carboxylicacid;2-methyl-3furan carboxylic acid;2-Methyl-3-furoic acid, 97%;DTXSID50288452;2-methyl-3-furan carboxylic acid;GEO-01841;MFCD00092314;NSC 55881;NSC-55881;STK520576;AKOS000121240;SB60924;AS-32891;CS-0095991;FT-0612941;EN300-20656;A866825;AK-830/25033015;J-509952;J-640047;J-800049;Z104479606

Chemical Property of 2-Methyl-3-furoic acid

Chemical Property:

• Appearance/Colour: light brown crystalline needles and chunks
• Vapor Pressure: 0.0347mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.4189 (estimate)
• Boiling Point: 231.5 °C at 760 mmHg
• PKA: 4.37±0.20(Predicted)
• Flash Point: 93.8 °C
• Density: 1.248 g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3-furoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CO1)C(=O)O

Technology Process of 2-Methyl-3-furoic acid

There total 21 articles about 2-Methyl-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: 95.0%

2-methyl-3-ethoxycarbonyl-furan (28921-35-9) → 2-methyl-3-furancarboxylic acid (6947-94-0)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1021/jo00088a050

Reference yield: 86.0%

methyl 2-methyl-3-furancarboxylate (6141-58-8) → 2-methyl-3-furancarboxylic acid (6947-94-0)

Guidance literature:

With sodium hydroxide; In water; Reflux; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00203

Reference yield:

2-methyl-furan-3,5-dicarboxylic acid (17276-95-8) → 2-methyl-3-furancarboxylic acid (6947-94-0)

Guidance literature:

at 280 ℃;

DOI:10.1021/ja01316a069

upstream raw materials:

2-methyl-3-ethoxycarbonyl-furan

2-methyl-furan-3,5-dicarboxylic acid

ethyl acetoacetate

Glycolaldehyde

Downstream raw materials:

2-Ethylbutanoic acid

C₁₂H₉ClFNO₂

2-methylfuran-3-carboxylic acid benzylamide

Refernces

• 1、 Jacques, Sylvain A.,Kuhn, Isabelle,Koniev, Oleksandr,Schuber, Francis,Lund, Frances E.,Wagner, Alain,Muller-Steffner, Héleìne,Kellenberger, Esther. "Discovery of potent inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme". . p. 3582 - 3592. Retrieved 2015/05/05.
• 2、 -. "Phosphorylamides, their preparation and use". . . Retrieved 2008/06/13.