Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo-

Base Information

• Chemical Name: Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo-
• CAS No.: 80357-43-3
• Molecular Formula: C20H16Cl2N2O2
• Molecular Weight: 387.265
• DSSTox Substance ID: DTXSID40230268
• Nikkaji Number: J68.262D
• Wikidata: Q83110731
• ChEMBL ID: CHEMBL281909

Synonyms:BRN 5306048;1,4-Dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxonicotinamide;Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo-;80357-43-3;1,4-Dihydro-2,6-dimethyl-N,1-bis(o-chlorophenyl)-4-oxo-3-pyridinecarboxamide;CHEMBL281909;DTXSID40230268;LS-96406;1,4-Dihydro-N,1-bis(o-chlorophenyl)-4-oxo-2,6-dimethylnicotinamide

Chemical Property of Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo-

Chemical Property:

• Vapor Pressure: 4.28E-12mmHg at 25°C
• Boiling Point: 548.8°Cat760mmHg
• Flash Point: 285.7°C
• Density: 1.376g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 386.0588831
• Heavy Atom Count: 26
• Complexity: 644

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=C(N1C2=CC=CC=C2Cl)C)C(=O)NC3=CC=CC=C3Cl

Technology Process of Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo-

There total 1 articles about Nicotinamide, 1,4-dihydro-N,1-bis(o-chlorophenyl)-2,6-dimethyl-4-oxo- 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%

3-oxo-N-2-chlorophenylbutanamide (93-70-9) → N,1-bis(2-chlorophenyl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide (80357-43-3)

Guidance literature:

With 2-methyltetrahydrofuran; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; copper(l) iodide; but-3-yn-2-ol; In toluene; at 110 ℃; for 5h;

DOI:10.1039/c5ra12115a

Reference yield: 73.0%

N,1-bis(2-chlorophenyl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide (80357-43-3) → 5-bromo-N,1-bis(2-chlorophenyl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide (1523153-52-7)

Guidance literature:

With pyridinium bromochromate; acetic acid; at 50 ℃; for 6h; regioselective reaction;

DOI:10.1080/00397911.2013.834363

upstream raw materials:

3-oxo-N-2-chlorophenylbutanamide

Downstream raw materials:

5-bromo-N,1-bis(2-chlorophenyl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide

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