2,4-Pyridinedicarboxylic acid

Base Information

• Chemical Name: 2,4-Pyridinedicarboxylic acid
• CAS No.: 499-80-9
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.121
• Hs Code.: 29333999
• European Community (EC) Number: 207-892-2
• NSC Number: 403248
• UNII: AFI29F0TVL
• DSSTox Substance ID: DTXSID9060104
• Nikkaji Number: J6.182D
• Wikipedia: Lutidinic_acid
• Wikidata: Q27076768
• Pharos Ligand ID: XWCC7X1A3Z8B
• Metabolomics Workbench ID: 56576
• ChEMBL ID: CHEMBL316034
• Mol file: 499-80-9.mol

Synonyms:2,4-PDCA;2,4-PDCX;2,4-pyridinedicarboxylic acid;pyridine-2,4-dicarboxylic acid

Chemical Property of 2,4-Pyridinedicarboxylic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 4.71E-14mmHg at 25°C
• Melting Point: 243-246 °C
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 574.8 °C at 760 mmHg
• PKA: 2.15(at 25℃)
• Flash Point: 301.4 °C
• PSA: 87.49000
• Density: 1.551 g/cm³
• LogP: 0.47800
• Storage Temp.: Store below +30°C.
• Solubility.: 2.49g/l
• Water Solubility.: Soluble in water at 20°C 4.5 g/L.
• XLogP3: 0.2
• 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:

98% ^*data from raw suppliers

2,4-Pyridinedicarboxylic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O
• Uses: 2,4-Pyridinedicarboxylic acid is an in vitro and in cell inhibitor, as well as a known inhibitor of the histone lysine demethylases. 2,4-Pyridinedicarboxylic acid has been used in a study to determine that ruthenium(II) complexes exert antimetastatic effects on several tumor cell lines in vitro, achieved mostly by the effect on cell adhesion, migration and angiogenesis. 2,4-Pyridinedicarboxylic acid has been used in a study to develop an assay that represents the first report of a RapidFire mass spectrometery assay for an epigenetics target. 2,4-Pyridinedicarboxylic Acid is a jumonji C (JmjC) histone demethylase inhibitor.

Technology Process of 2,4-Pyridinedicarboxylic acid

There total 13 articles about 2,4-Pyridinedicarboxylic 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: 52.0%

2,4-lutidine (108-47-4) → pyridine-2,4-dicarboxylic acid (499-80-9)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; oxygen; In 1,2-dimethoxyethane; at 60 ℃; for 48h; under 3800 Torr;

DOI:10.1007/BF00476210

Reference yield:

2,4-lutidine (108-47-4) + sulfuric acid (7664-93-9) → 2-methylisonicotinic acid (4021-11-8) + pyridine-2,4-dicarboxylic acid (499-80-9)

Guidance literature:

at 300 ℃;

Reference yield:

Kraft lignin → pyridine-2,4-dicarboxylic acid (499-80-9)

Guidance literature:

With thiostrepton; ammonium chloride; at 30 ℃; for 96h;

DOI:10.1039/c5gc01347j

upstream raw materials:

2-ethyl-4-methylpyridine

4-ethyl-2-methyl-pyridine

2,4-lutidine

sulfuric acid

Downstream raw materials:

pyridine

pyridine-4-carboxylic acid

carbon dioxide

bis(2-phenylethyl)pyridine-2,4-dicarboxylate

Refernces

• 1、 Mycroft, Zoe,Gomis, Maria,Mines, Paul,Law, Paul,Bugg, Timothy D.H.. "Biocatalytic conversion of lignin to aromatic dicarboxylic acids in Rhodococcus jostii RHA1 by re-routing aromatic degradation pathways". . p. 4974 - 4979. Retrieved 2015/11/17.
• 2、 Iovel', I. G.,Gol'dberg, Yu. Sh.,Gaukhman, A. P.,Zolotoyabko, R. M.,Shimanskaya, M. V.. "AUTOOXIDATION OF METHYLHETEROCYCLES UNDER PHASE TRANSFER CATALYSIS CONDITIONS". . p. 768 - 771. Retrieved 2007/10/02.