Pyridine-3,4-dicarboxylic acid

Base Information

• Chemical Name: Pyridine-3,4-dicarboxylic acid
• CAS No.: 490-11-9
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.121
• Hs Code.: 29333999
• European Community (EC) Number: 207-705-4
• NSC Number: 178
• UNII: 7389UZW5DY
• DSSTox Substance ID: DTXSID70197653
• Nikkaji Number: J6.042I
• Wikidata: Q27120712
• Metabolomics Workbench ID: 56714
• ChEMBL ID: CHEMBL261326
• Mol file: 490-11-9.mol

Synonyms:3,4-pyridinedicarboxylic acid

Chemical Property of Pyridine-3,4-dicarboxylic acid

Chemical Property:

• Appearance/Colour: white to slightly beige fine crystalline powder
• Vapor Pressure: 5.21E-12mmHg at 25°C
• Melting Point: 262 °C
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 528.8 °C at 760 mmHg
• PKA: 1.00±0.10(Predicted)
• Flash Point: 273.6 °C
• PSA: 87.49000
• Density: 1.551 g/cm³
• LogP: 0.47800
• Storage Temp.: Store below +30°C.
• Solubility.: 2.34g/l
• Water Solubility.: 2.34g/L(25 oC)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 167.02185764
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

3,4-Pyridine dicarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(=O)O)C(=O)O

Technology Process of Pyridine-3,4-dicarboxylic acid

There total 43 articles about Pyridine-3,4-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: 73.0%

nicotinic acid (59-67-6) + carbon dioxide (124-38-9,18923-20-1) → 3,4-pyridinecarboxylic acid (490-11-9)

Guidance literature:

nicotinic acid; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 0.5h;

carbon dioxide; In tetrahydrofuran; hexane;

DOI:10.1016/S0040-4039(99)01053-9

Reference yield: 71.0%

isoquinoline (119-65-3) → 3,4-pyridinecarboxylic acid (490-11-9)

Guidance literature:

With Iron(III) nitrate nonahydrate; tetrabutylammomium bromide; nitric acid; In water; at 60 ℃; for 16h;

Reference yield: 65.0%

pyridine-4-carboxylic acid (55-22-1) + carbon dioxide (124-38-9,18923-20-1) → 3,4-pyridinecarboxylic acid (490-11-9)

Guidance literature:

pyridine-4-carboxylic acid; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -50 - -25 ℃; for 0.5h;

carbon dioxide; In tetrahydrofuran; hexane;

DOI:10.1016/S0040-4039(99)01053-9

upstream raw materials:

3,4-Lutidin

isoquinoline

3-ethyl-4-methylpyridine

pyridine-3,4-dicarboxylic acid 3-methyl ester

Downstream raw materials:

nicotinic acid

pyridine-4-carboxylic acid

fluorescein

dimethyl 3,4-pyridinedicarboxylate