Ethyl 4-(pyridine-3-carbonylamino)benzoate

Base Information

• Chemical Name: Ethyl 4-(pyridine-3-carbonylamino)benzoate
• CAS No.: 26321-06-2
• Molecular Formula: C15H14 N2 O3
• Molecular Weight: 270.288
• NSC Number: 131186
• DSSTox Substance ID: DTXSID00299533
• Nikkaji Number: J838.045G
• Wikidata: Q82041992
• ChEMBL ID: CHEMBL1439207
• Mol file: 26321-06-2.mol

Synonyms:26321-06-2;ethyl 4-(pyridine-3-carbonylamino)benzoate;ethyl 4-[(3-pyridinylcarbonyl)amino]benzoate;Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-, ethyl ester;ethyl 4-[(pyridin-3-ylcarbonyl)amino]benzoate;NSC131186;Oprea1_446767;Oprea1_802403;MLS001204544;ethyl 4-(nicotinamido)benzoate;SCHEMBL7336785;CHEMBL1439207;4-[(Pyridine-3-carbonyl)-amino]-benzoic acid ethyl ester;DTXSID00299533;IGNYCWGRAJGNKX-UHFFFAOYSA-N;HMS2842B18;STK008044;AKOS000499281;NSC-131186;SMR000514565;ETHYL 4-(PYRIDINE-3-AMIDO)BENZOATE;VU0014118-2;AE-641/00162060;SR-01000430438;SR-01000430438-1;F3145-4944

Chemical Property of Ethyl 4-(pyridine-3-carbonylamino)benzoate

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Boiling Point: 358.3°C at 760 mmHg
• Flash Point: 170.5°C
• PSA: 68.29000
• Density: 1.251g/cm³
• LogP: 2.58360
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.10044231
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-(pyridine-3-carbonylamino)benzoate

There total 6 articles about Ethyl 4-(pyridine-3-carbonylamino)benzoate 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: 86.0%

(1H-benzo[d][1,2,3]triazol-1-yl)(pyridin-3-yl)methanone (144223-30-3) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(nicotinamido)benzoate (26321-06-2)

Guidance literature:

In tetrahydrofuran; for 8h; Reflux;

DOI:10.1039/d0nj01274b

Reference yield: 78.0%

3-Bromopyridine (626-55-1,163928-56-1) + p-aminoethylbenzoate (94-09-7) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → ethyl 4-(nicotinamido)benzoate (26321-06-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 120 ℃; for 3h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0037-1609152

Reference yield:

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(nicotinamido)benzoate (26321-06-2)

Guidance literature:

With pyridine;

DOI:10.1007/BF00901766

upstream raw materials:

pyridine-3-carbonyl chloride hydrochloride

p-aminoethylbenzoate

3-pyridinecarbonyl chloride

nicotinic acid

Downstream raw materials:

4-(piperidine-3-carbonylamino)-benzoic acid ethyl ester

N-(4-(hydrazinecarbonyl)phenyl)nicotinamide

N-(4-(2-(furan-2-ylmethylidene)hydrazine-1-carbonyl)phenyl)nicotinamide