3,4-Furandicarboxylic acid

Base Information

• Chemical Name: 3,4-Furandicarboxylic acid
• CAS No.: 3387-26-6
• Molecular Formula: C6H4O5
• Molecular Weight: 156.095
• Hs Code.: 2932190090
• European Community (EC) Number: 222-210-3
• NSC Number: 629037,191922
• UNII: J5A48RX2NN
• DSSTox Substance ID: DTXSID00187502
• Nikkaji Number: J100.842K
• Wikidata: Q72479650
• ChEMBL ID: CHEMBL2132675
• Mol file: 3387-26-6.mol

Synonyms:3,4-Furandicarboxylic acid;3387-26-6;Furan-3,4-dicarboxylic acid;MLS003106999;EINECS 222-210-3;MFCD00022465;NSC629037;NSC-191922;NSC-629037;NSC191922;J5A48RX2NN;SCHEMBL36897;YSWG281;3,4-FurandicarbonsA currencyure;CHEMBL2132675;DTXSID00187502;AKOS006272887;NSC 191922;AS-31216;SMR001821880;SY003940;CS-0110782;A875170

Chemical Property of 3,4-Furandicarboxylic acid

Chemical Property:

• Appearance/Colour: almost white solid
• Vapor Pressure: 3.26E-06mmHg at 25°C
• Melting Point: 217-218 °C
• Refractive Index: 1.58
• Boiling Point: 372.6 °C at 760 mmHg
• PKA: 3.29±0.20(Predicted)
• Flash Point: 179.2 °C
• PSA: 87.74000
• Density: 1.604 g/cm³
• LogP: 0.67600
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 156.00587322
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99%, ^*data from raw suppliers

3,4-Furandicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CO1)C(=O)O)C(=O)O

Technology Process of 3,4-Furandicarboxylic acid

There total 9 articles about 3,4-Furandicarboxylic 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: 100.0%

dimethyl 3,4-furandicarboxylate (4282-33-1) → furan-3,4-dicarboxylic acid (3387-26-6)

Guidance literature:

With potassium hydroxide; In methanol; water;

DOI:10.1021/ja074000b

Reference yield: 99.0%

diethyl 3,4-furandicarboxylate (30614-77-8) → furan-3,4-dicarboxylic acid (3387-26-6)

Guidance literature:

diethyl 3,4-furandicarboxylate; With ethanol; potassium hydroxide; for 2h; Reflux;

With hydrogenchloride; In water; pH=Ca. 1;

DOI:10.1016/j.ejmech.2010.01.004

Reference yield:

tetraethyl furan-2,3,4,5-tetracarboxylate (20416-03-9) → furan-3,4-dicarboxylic acid (3387-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous KOH-solution

2: 270 °C / im Hochvakuum

With potassium hydroxide;

DOI:10.1002/hlca.19330160138

upstream raw materials:

furan

diethyl 3,4-furandicarboxylate

furan-2,3,4-tricarboxylic acid

furantetracarboxylic acid

Downstream raw materials:

diethyl 3,4-furandicarboxylate

3-Furoic acid

furan-3,4-dicarbonyl dichloride

3-methylene-2,4-diphenyl-3,4-dihydro-2H-furo[3,4-e][1,3]diazepine-1,5-dione

Refernces

• 1、 -. "THIENO, FURO AND SELENOPHENO-[3,4-C]PYRROLE-4,6-DIONE COPOLYMERS". Paragraph 00112. . Retrieved 2014/03/25.
• 2、 Beaupre, Serge,Pron, Agnieszka,Drouin, Simon H.,Najari, Ahmed,Mercier, Lauren G.,Robitaille, Amelie,Leclerc, Mario. "Thieno-, furo-, and selenopheno[3,4-c ]pyrrole-4,6-dione copolymers: Effect of the heteroatom on the electrooptical properties". . p. 6906 - 6914,9. Retrieved 2020/08/24.