5-Methylpyridine-2,3-dicarboxylic acid

Base Information

• Chemical Name: 5-Methylpyridine-2,3-dicarboxylic acid
• CAS No.: 53636-65-0
• Molecular Formula: C8H7 N O4
• Molecular Weight: 181.148
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80886066
• Nikkaji Number: J246.533G
• Wikidata: Q72496623
• Mol file: 53636-65-0.mol

Synonyms:5-METHYLPYRIDINE-2,3-DICARBOXYLIC ACID;53636-65-0;2,3-Pyridinedicarboxylic acid, 5-methyl-;5-methyl-2,3-Pyridinedicarboxylic acid;5-Methylpyridine-2,3-dicarboxylicacid;SCHEMBL1819716;DTXSID80886066;MFCD05662425;AKOS006295714;SB52287;DS-15633;C75512;EN300-127743;A870675;Z1198165562

Chemical Property of 5-Methylpyridine-2,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.22E-08mmHg at 25°C
• Boiling Point: 436.2oC at 760 mmHg
• PKA: 5.41±0.20(Predicted)
• Flash Point: 217.6oC
• PSA: 87.49000
• Density: 1.460
• LogP: 0.78640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

5-Methylpyridine-2,3-dicarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)C(=O)O)C(=O)O

Technology Process of 5-Methylpyridine-2,3-dicarboxylic acid

There total 10 articles about 5-Methylpyridine-2,3-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: 78.6%

→ 5-methyl-pyridine-2,3-dicarboxylic acid (53636-65-0)

Guidance literature:

Reference yield: 78.3%

8-hydroxy-3-methylquinoline (75457-13-5) → 5-methyl-pyridine-2,3-dicarboxylic acid (53636-65-0)

Guidance literature:

With formic acid; manganese dioxide; nitric acid;

Reference yield: 65.0%

3-methylquinoline (612-58-8) → 5-methyl-pyridine-2,3-dicarboxylic acid (53636-65-0)

Guidance literature:

With Iron(III) nitrate nonahydrate; tetrabutylammomium bromide; nitric acid; In water; at 100 ℃; for 16h;

upstream raw materials:

8-hydroxy-3-methylquinoline

3-methylquinoline

3,6-dimethylquinoline

water

Downstream raw materials:

diethyl 5-methylpyridine-2,3-dicarboxylate

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