N-(2-Amino-phenyl)-nicotinamide

Base Information

• Chemical Name: N-(2-Amino-phenyl)-nicotinamide
• CAS No.: 436089-31-5
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.239
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50360661
• Wikidata: Q27216127
• ChEMBL ID: CHEMBL236678
• Mol file: 436089-31-5.mol

Synonyms:N-(2-Amino-phenyl)-nicotinamide;436089-31-5;N-(2-aminophenyl)nicotinamide;N-(2-aminophenyl)pyridine-3-carboxamide;CHEMBL236678;SCHEMBL18086514;DTXSID50360661;CHEBI:125506;BDBM50220259;AKOS000129725;N-(2-aminophenyl)-3-pyridinecarboxamide;EN300-10151100;SR-01000329900;SR-01000329900-1;BRD-K20880473-001-03-8;BRD-K20880473-001-04-6;Q27216127;Z239120430

Chemical Property of N-(2-Amino-phenyl)-nicotinamide

Chemical Property:

• Vapor Pressure: 0.000515mmHg at 25°C
• Boiling Point: 312.9°Cat760mmHg
• Flash Point: 143°C
• PSA: 68.01000
• Density: 1.301g/cm³
• LogP: 2.57030
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.090211983
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Amino-phenyl)-nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of N-(2-Amino-phenyl)-nicotinamide

There total 3 articles about N-(2-Amino-phenyl)-nicotinamide 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: 76.0%

N-(2-nitrophenyl)nicotinamide → BG23 (436089-31-5)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 10h; under 2585.81 Torr;

Reference yield:

3-pyridinecarbonyl chloride (10400-19-8) → BG23 (436089-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 2 h / 0 °C

2: hydrogen / methanol / 10 h / 20 °C / 2585.81 Torr

With hydrogen; triethylamine; In methanol; dichloromethane;

Reference yield:

nicotinic acid (59-67-6) → BG23 (436089-31-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / dichloromethane / 0.08 h / 20 °C

1.2: 3 h / Heating

2.1: triethylamine / dichloromethane / 2 h / 0 °C

3.1: hydrogen / methanol / 10 h / 20 °C / 2585.81 Torr

With thionyl chloride; hydrogen; triethylamine; In methanol; dichloromethane;

upstream raw materials:

3-pyridinecarbonyl chloride

nicotinic acid