3-[(Pyridin-2-ylcarbonyl)amino]benzoic acid

Base Information

• Chemical Name: 3-[(Pyridin-2-ylcarbonyl)amino]benzoic acid
• CAS No.: 86405-44-9
• Molecular Formula: C₁₃H₁₀N₂O₃
• Molecular Weight: 242.234
• DSSTox Substance ID: DTXSID801266477
• Nikkaji Number: J3.158.336E
• Mol file: 86405-44-9.mol

Synonyms:3-[(pyridin-2-ylcarbonyl)amino]benzoic acid;Oprea1_028105;Oprea1_075673;SCHEMBL11087870;DTXSID801266477;STK360292;AKOS000124960;N-(3-Carboxyphenyl)pyridine-2-carboxamide;3-[(2-Pyridinylcarbonyl)amino]benzoic acid;EU-0007723;SR-01000458471;SR-01000458471-1;86405-44-9

Chemical Property of 3-[(Pyridin-2-ylcarbonyl)amino]benzoic acid

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Technology Process of 3-[(Pyridin-2-ylcarbonyl)amino]benzoic acid

There total 1 articles about 3-[(Pyridin-2-ylcarbonyl)amino]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: 84.0%

2-(3-ethylbenzoate-carbomyl)pyridine (333419-50-4) → N-(3-carboxylphenyl)pyridine-2'-carboxamide (86405-44-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h;

DOI:10.1021/acs.cgd.7b00536

Reference yield: 88.0%

erbium trichloride hydrate (19423-85-9) + N-(3-carboxylphenyl)pyridine-2'-carboxamide (86405-44-9) → Er-tris{N-(3-carboxylato-phenyl)pyridine-2'carboxamide}*2H2O

Guidance literature:

With NaOH; In water; byproducts: NaCl; to a suspn. of pyridine-deriv. in water was added dropwise an equimolar amount of aq. NaOH with stirring, a soln. of metal chloride in water was added at room temp., stirring for 30 min; the ppt. was filtered, washed with water, ether and EtOH and dried in vac. over P4O10, elem. anal.;

Reference yield: 86.0%

ytterbium trichloride hydrate (10035-01-5) + N-(3-carboxylphenyl)pyridine-2'-carboxamide (86405-44-9) → Yb-tris{N-(3-carboxylato-phenyl)pyridine-2'carboxamide}*4H2O

Guidance literature:

With NaOH; In water; byproducts: NaCl; to a suspn. of pyridine-deriv. in water was added dropwise an equimolar amount of aq. NaOH with stirring, a soln. of metal chloride in water was added at room temp., stirring for 30 min; the ppt. was filtered, washed with water, ether and EtOH and dried in vac. over P4O10, elem. anal.;

upstream raw materials:

2-(3-ethylbenzoate-carbomyl)pyridine