6-(4-Carboxyphenyl)nicotinic acid

Base Information

• Chemical Name: 6-(4-Carboxyphenyl)nicotinic acid
• CAS No.: 676339-81-4
• Molecular Formula: C13H9NO4
• Molecular Weight: 243.219
• DSSTox Substance ID: DTXSID20687453
• Nikkaji Number: J3.006.063F
• Wikidata: Q82614132

Synonyms:6-(4-CARBOXYPHENYL)NICOTINIC ACID;676339-81-4;6-(4-Carboxyphenyl)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 6-(4-carboxyphenyl)-;YSWG564;DTXSID20687453;BCB33981;MFCD18317341;2-phenylpyridine-5,4'-dicarboxylic acid;6-(4-CARBOXYPHENYL)NICOTINICACID;NCGC00374213-01;BS-17329;CS-0160609;2-(4-Carboxyphenyl)pyridine-5-carboxylic acid;D83481

Chemical Property of 6-(4-Carboxyphenyl)nicotinic acid

Chemical Property:

• Boiling Point: 500.8±45.0 °C(Predicted)
• PSA: 87.49000
• Density: 1.405±0.06 g/cm3(Predicted)
• LogP: 2.14500
• XLogP3: 1.6
• 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:

98%,99%, ^*data from raw suppliers

6-(4-Carboxyphenyl)nicotinicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-(4-Carboxyphenyl)nicotinic acid

There total 4 articles about 6-(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: 64.0%

acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) + 2-(4-methylphenyl)-5-methylpyridine (85237-71-4) → 2-phenylpyridine-5,4’-dicarboxylic acid (676339-81-4)

Guidance literature:

acetic anhydride; acetic acid; 2-(4-methylphenyl)-5-methylpyridine; With chromium(VI) oxide; In sulfuric acid; at 0 ℃; for 1h; Inert atmosphere;

In sulfuric acid; at 20 ℃; Inert atmosphere;

DOI:10.1039/c4cc05222f

Reference yield:

acetic acid (64-19-7,77671-22-8) + 2-(4-methylphenyl)-5-methylpyridine (85237-71-4) → 2-phenylpyridine-5,4’-dicarboxylic acid (676339-81-4)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; acetic anhydride; In tetrahydrofuran; at 2 - 20 ℃; for 13.7h; Inert atmosphere;

Reference yield:

2-Bromo-5-methylpyridine (3510-66-5) → 2-phenylpyridine-5,4’-dicarboxylic acid (676339-81-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: palladium diacetate; potassium phosphate / water; isopropyl alcohol / 4 h / Reflux

2.1: chromium(VI) oxide / sulfuric acid / 1 h / 0 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

With chromium(VI) oxide; potassium phosphate; palladium diacetate; In sulfuric acid; water; isopropyl alcohol;

DOI:10.1039/c4cc05222f

upstream raw materials:

2-Bromo-5-methylpyridine

4-methylphenylboronic acid

acetic anhydride

acetic acid

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