4-Phenylpyridine-2,6-dicarboxylic acid

Base Information

• Chemical Name: 4-Phenylpyridine-2,6-dicarboxylic acid
• CAS No.: 83463-12-1
• Molecular Formula: C13H9NO4
• Molecular Weight: 243.219
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL4079832
• DSSTox Substance ID: DTXSID00511287
• Nikkaji Number: J2.311.318J
• Wikidata: Q82370020
• Mol file: 83463-12-1.mol

Synonyms:4-PHENYLPYRIDINE-2,6-DICARBOXYLIC ACID;83463-12-1;SCHEMBL1759786;CHEMBL4079832;DTXSID00511287;VHENPTPXTMAFOQ-UHFFFAOYSA-N;4-phenyl-2,6-pyridinedicarboxylic acid;FT-0736560

Chemical Property of 4-Phenylpyridine-2,6-dicarboxylic acid

Chemical Property:

• PSA: 87.49000
• LogP: 2.14500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 243.05315777
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

95% ^*data from raw suppliers

4-PHENYLPYRIDINE-2,6-DICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=C2)C(=O)O)C(=O)O

Technology Process of 4-Phenylpyridine-2,6-dicarboxylic acid

There total 13 articles about 4-Phenylpyridine-2,6-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: 87.0%

2,6-di(furan-2-yl)-4-phenylpyridine (5689-65-6) → 4-phenyl-2,6-pyridinedicarboxylic acid (83463-12-1)

Guidance literature:

With potassium permanganate; In acetone; at 25 ℃; for 96h;

DOI:10.1021/jo00145a048

Reference yield: 86.0%

4-phenyl-2,6-pyridinedicarboxylic acid dimethyl ester (117095-81-5) → 4-phenyl-2,6-pyridinedicarboxylic acid (83463-12-1)

Guidance literature:

With water; potassium carbonate; In methanol; at 20 ℃; for 18h;

DOI:10.1002/chem.200501261

Reference yield: 40.0%

2,6-dimethyl-4-phenylpyridine (3044-71-1) → 4-phenyl-2,6-pyridinedicarboxylic acid (83463-12-1)

Guidance literature:

With potassium permanganate; In water; for 18h; Heating;

DOI:10.1021/ja00232a028

upstream raw materials:

2,6-di(furan-2-yl)-4-phenylpyridine

2,6-dimethyl-4-phenylpyridine

4-phenyl-2,6-pyridinedicarboxylic acid dimethyl ester

4-chloropyridine-2,6-dicarbonyl dichloride

Downstream raw materials:

4-phenyl-2,6-pyridinedicarboxylic acid dimethyl ester

p-phenylpyridine

2,6-bis(hydroxymethyl)-4-phenylpyridine

4-phenyl-bis(2,6-bromomethyl)pyridine