N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide

Base Information

• Chemical Name: N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide
• CAS No.: 138768-28-2
• Molecular Formula: C19H15N5O
• Molecular Weight: 329.36
• Hs Code.: 2933990090
• European Community (EC) Number: 806-309-4
• DSSTox Substance ID: DTXSID90404230
• Nikkaji Number: J417.890D
• Mol file: 138768-28-2.mol

Synonyms:138768-28-2;N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide;N-[benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide;N-((1H-Benzo[d][1,2,3]triazol-1-yl)(phenyl)methyl)nicotinamide;DTXSID90404230;AKOS022180949;J-007171;N-(1 H-BENZOTRIAZOL-1-YLPHENYLMETHYL)-3-PYRIDINECARBOXAMIDE;N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide, 97%;N-[(1H-Benzotriazol-1-yl)(phenyl)methyl]pyridine-3-carboxamide

Chemical Property of N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide

Chemical Property:

• Vapor Pressure: 8.72E-17mmHg at 25°C
• Melting Point: 184-188 °C(lit.)
• Refractive Index: 1.698
• Boiling Point: 650.1°Cat760mmHg
• Flash Point: 347°C
• PSA: 72.70000
• Density: 1.31g/cm³
• LogP: 3.19410
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.12766012
• Heavy Atom Count: 25
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(NC(=O)C2=CN=CC=C2)N3C4=CC=CC=C4N=N3
• Uses: N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide can be used as an amidoalkylating reagent for the preparation of amidoalkylated products of aromatic and heterocyclic compounds.

Technology Process of N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide

There total 1 articles about N-(1H-Benzotriazol-1-ylphenylmethyl)-3-pyridinecarboxamide 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: 75.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + nicotinamide (98-92-0,1255150-40-3) + benzaldehyde (100-52-7) → N-<α-(benzotriazol-1-yl)benzyl>-3-pyridinecarboxamide (138768-28-2)

Guidance literature:

In toluene; for 24h; Heating;

Reference yield: 100.0%

N-<α-(benzotriazol-1-yl)benzyl>-3-pyridinecarboxamide (138768-28-2) + β-naphthol (135-19-3) → N-[(2-Hydroxy-naphthalen-1-yl)-phenyl-methyl]-nicotinamide (138768-36-2)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 4h; Heating;

DOI:10.1055/s-1991-26596

upstream raw materials:

1,2,3-Benzotriazole

nicotinamide

benzaldehyde

Downstream raw materials:

N-[(2-Hydroxy-naphthalen-1-yl)-phenyl-methyl]-nicotinamide

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