2-oxo-2H-pyran-4,6-dicarboxylic acid

Base Information

• Chemical Name: 2-oxo-2H-pyran-4,6-dicarboxylic acid
• CAS No.: 72698-24-9
• Molecular Formula: C7H4O6
• Molecular Weight: 184.105
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID50222997
• Nikkaji Number: J1.089.989C
• Wikidata: Q27102682
• Metabolomics Workbench ID: 51074
• Mol file: 72698-24-9.mol

Synonyms:2-pyrone-4,6-dicarboxylic acid;alpha-pyrone-4,6-dicarboxylic acid

Chemical Property of 2-oxo-2H-pyran-4,6-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 5.18E-06mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 355.51 °C at 760 mmHg
• Flash Point: 152.668 °C
• PSA: 104.81000
• Density: 1.822 g/cm³
• LogP: 0.03620
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 184.00078784
• Heavy Atom Count: 13
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(OC1=O)C(=O)O)C(=O)O

Technology Process of 2-oxo-2H-pyran-4,6-dicarboxylic acid

There total 3 articles about 2-oxo-2H-pyran-4,6-dicarboxylic 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: 88.0%

PDC sodium salt → 2-pyranone-4,6-dicarboxylic acid (72698-24-9)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

→ 2-pyranone-4,6-dicarboxylic acid (72698-24-9)

Guidance literature:

With transformed bacterium;

DOI:10.1246/cl.2008.154

Reference yield:

3, 4-dihydroxybenozoate → 2-pyranone-4,6-dicarboxylic acid (72698-24-9)

Guidance literature:

With Sphingomonas paucimobilis SYK-6; Microbiological reaction;

DOI:10.1246/bcsj.80.2436

Downstream raw materials:

C₁₃H₈O₆

bis-(2-{[(cholest-5-en-3-yloxy)carbonyl]oxy}ethyl) 2-oxo-2H-pyran-4,6-dicarboxylate

bis-(2-{[(cholest-5-en-3-yloxy)carbonyl]amino}ethyl) 2-oxo-2H-pyran-4,6-dicarboxylate

4,6-dimethoxycarbonyl-2H-pyran-2-one