5-(4-Carboxyphenyl)nicotinic acid

Base Information

• Chemical Name: 5-(4-Carboxyphenyl)nicotinic acid
• CAS No.: 597565-52-1
• Molecular Formula: C13H9NO4
• Molecular Weight: 243.21500
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60687452
• Nikkaji Number: J1.915.084D
• Wikidata: Q82614130
• Mol file: 597565-52-1.mol

Synonyms:5-(4-CARBOXYPHENYL)NICOTINIC ACID;597565-52-1;5-(4-Carboxyphenyl)pyridine-3-carboxylic acid;5-(4-Carboxyphenyl)nicotinicacid;3-Pyridinecarboxylic acid, 5-(4-carboxyphenyl)-;YSZC3291;DTXSID60687452;XYA56552;MFCD18317340;AKOS015999264;BS-29182;CS-0209494;A869125

Chemical Property of 5-(4-Carboxyphenyl)nicotinic acid

Chemical Property:

• PSA: 87.49000
• LogP: 2.14500
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 243.05315777
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Carboxyphenyl)nicotinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)C(=O)O

Technology Process of 5-(4-Carboxyphenyl)nicotinic acid

There total 1 articles about 5-(4-Carboxyphenyl)nicotinic 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:

5-bromo-3-pyridinecarboxylic acid (20826-04-4) + 4-carboxyphenylboronic acid (14047-29-1) → 5-(4'-carboxylphenyl)nicotinic acid (597565-52-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; Davisil 500 Angstroem beads; sodium carbonate; In water; for 2h; Heating;

DOI:10.1016/S0040-4039(03)01128-6

Reference yield: 80.7%

nickel(II) acetate tetrahydrate (6018-89-9) + 1,4-bis-(1H-imidazol-1-yl)benzene (25372-07-0) + 5-(4'-carboxylphenyl)nicotinic acid (597565-52-1) → [Ni(cpna)(1,4-bibz)0.5(H2O)]*H2O

Guidance literature:

With sodium acetate; acetic acid; In water; at 180 ℃; for 72h; pH=6; High pressure; Autoclave;

DOI:10.1039/c8nj02921k

Reference yield: 53.4%

1,4-bis(imidazol-l-yl-methyl)benzene (56643-83-5) + nickel(II) acetate tetrahydrate (6018-89-9) + 5-(4'-carboxylphenyl)nicotinic acid (597565-52-1) → C13H7NO4(2-)*Ni(2+)*2H2O*C14H14N4

Guidance literature:

With sodium acetate; acetic acid; In water; at 180 ℃; for 72h; pH=6; High pressure; Autoclave;

DOI:10.1039/c8nj02921k

upstream raw materials:

5-bromo-3-pyridinecarboxylic acid

4-carboxyphenylboronic acid