2-(Pyridin-2-ylcarbamoyl)benzoic acid

Base Information

• Chemical Name: 2-(Pyridin-2-ylcarbamoyl)benzoic acid
• CAS No.: 19357-10-9
• Molecular Formula: C13H10N2O3
• Molecular Weight: 242.234
• European Community (EC) Number: 874-016-9
• DSSTox Substance ID: DTXSID70350024
• Wikidata: Q82125717
• ChEMBL ID: CHEMBL1566591
• Mol file: 19357-10-9.mol

Synonyms:19357-10-9;2-(pyridin-2-ylcarbamoyl)benzoic acid;2-[(pyridin-2-yl)carbamoyl]benzoic acid;Benzoic acid,2-[(2-pyridinylamino)carbonyl]-;2-[(2-pyridinylamino)carbonyl]benzoic acid;TimTec1_001551;Oprea1_822114;MLS000058751;SCHEMBL8433498;CHEMBL1566591;DTXSID70350024;HMS1538G11;HMS2413F07;N-(2-pyridyl)-2-carboxybenzamide;STK392543;2-(pyridin-2-ylcarbamoyl)benzoicacid;N-(2-PYRIDYL)PHTHALAMIC ACID;AKOS000520218;NCGC00061663-02;SMR000069016;CS-0243270;EN300-261759;AB00074250-01;Z57480089

Chemical Property of 2-(Pyridin-2-ylcarbamoyl)benzoic acid

Chemical Property:

• Melting Point: 132-135 °C
• Boiling Point: 380.8±22.0 °C(Predicted)
• PKA: 3.52±0.36(Predicted)
• PSA: 82.78000
• Density: 1.391±0.06 g/cm3(Predicted)
• LogP: 2.41610
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.06914219
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

N-(2-PYRIDYL)PHTHALAMIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)C(=O)O

Technology Process of 2-(Pyridin-2-ylcarbamoyl)benzoic acid

There total 8 articles about 2-(Pyridin-2-ylcarbamoyl)benzoic 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: 70.0%

2-aminopyridine (504-29-0) + phthalic anhydride (85-44-9) → N-(2-pyridyl)-2-carboxybenzamide (19357-10-9)

Guidance literature:

In ethyl acetate; at 20 ℃;

DOI:10.1023/A:1010405928810

Reference yield:

2-aminopyridine (504-29-0) → N-(2-pyridyl)-2-carboxybenzamide (19357-10-9)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous NaOH

With sodium hydroxide;

DOI:10.1002/ardp.19342725102

Reference yield:

N-(2-pyridinyl)phthalimide (59208-49-0) → N-(2-pyridyl)-2-carboxybenzamide (19357-10-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/ardp.19342725102

upstream raw materials:

2-aminopyridine

phthalic anhydride

N-(2-pyridinyl)phthalimide

phthalimide

Downstream raw materials:

Pd(C₁₃H₁₀N₂O₃)2Cl₂