79397-52-7

Basic information

• Product Name: 3,5-Pyridinedicarbonitrile, 1,6-diamino-4-(4-chlorophenyl)-1,2-dihydro-2-oxo-
• Synonyms: 4-(chlorophenyl)-1,6-diamino-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile;1,6-Diamino-4-(4-chloro-phenyl)-2-oxo-1,2-dihydro-pyridine-3,5-dicarbonitrile;1,6-Diamino-3,5-dicyano-4-(4-chlorophenyl)-2-pyridone;4-(4-chlorophenyl)-1,6-diamino-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
• CAS NO: 79397-52-7
• Molecular Formula: C13H8ClN5O
• Molecular Weight: 285.692
• Mol File: 79397-52-7.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: 3,5-Pyridinedicarbonitrile, 1,6-diamino-4-(4-chlorophenyl)-1,2-dihydro-2-oxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Pyridinedicarbonitrile, 1,6-diamino-4-(4-chlorophenyl)-1,2-dihydro-2-oxo-(79397-52-7)
• EPA Substance Registry System: 3,5-Pyridinedicarbonitrile, 1,6-diamino-4-(4-chlorophenyl)-1,2-dihydro-2-oxo-(79397-52-7)

Safety Data

• Hazardous Substances Data: 79397-52-7(Hazardous Substances Data)

Upstream product

• 140-87-4 Cyanoacetohydrazide 
• 1867-38-5 4-chlorobenzylidenemalonodinitrile 
• 104-88-1 4-chlorobenzaldehyde 
• 109-77-3 malononitrile 
• 105-56-6 ethyl 2-cyanoacetate 
• 180793-13-9 2-cyano-N′-[(1E)-(4-chlorophenyl)methylidene]acetohydrazide 

Downstream Products

• 1410922-08-5 1-methyl-4-hydroxy3-(8-(4-chlorophenyl)-6-oxo-6H-7,9-dicarbonitrilepyrido[1,2-b][1,2,4]triazin-2-yl)quinolin-2(1H)-one 
• 1320281-60-4 9-((4-chlorophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(2-hydroxy-phenyl)-7-oxo-5,7-dihydropyrido[1,2-b][1,2,4]triazepine)-8,10-dicarbonitrile 
• 1240655-78-0 9-(4-chlorophenyl)-2,4-dimethyl-7-oxo-3-phenylhydrazono-1H-pyrido[1,2-b][1,2,4]triazepine-8,10-tricarbonitrile 
• 1240655-75-7 9-(4-chlorophenyl)-2,7-dioxo-2,5-dihydropyrido[1,2-b][1,2,4]triazepine-4,8,10-tricarbonitrile 
• 1240655-74-6 9-(4-chlorophenyl)-2,4,7-trioxo-1,3,5-trihydropyrido[1,2-b][1,2,4]triazepine-8,10-dicarbonitrile 
• 1240655-77-9 methyl 9-(4-chlorophenyl)-8,10-dicyano-2,7-dioxo-1,5-dihydropyrido[1,2-b][1,2,4]triazepine-4-carboxylate 
• 1240655-87-1 9-(4-chlorophenyl)-3-(2-hydroxybenzoyl)-7-oxo-6H-pyrido[1,2-b][1,2,4]triazepine-8,10-dicarbonitrile 
• 1240655-76-8 2-amino-9-(4-chlorophenyl)-4-methylthio-7-oxo-5H-pyrido[1,2-b][1,2,4]triazepine-3,8,10-tricarbonitrile 
• 1240655-82-6 2-(2-benzoylaminophenyl)-7-(4-chlorophenyl)-5-oxo-1H-[1,2,4]triazolo[2,3-a]pyridine-6,8-dicarbonitrile 
• 1240655-83-7 10-(4-chlorophenyl)-4-hydroxy-2,6-dimethyl-8-oxopyrano[2,3-e]pyrido[1,2-b][1,2,4]triazepine-9,11-dicarbonitrile 

Relevant articles and documents

Pyrido triazin-nucleus synthesis and theoretical studies: 2,3,6-trioxo-8-aryl-1,3,4,6-tetrahydro-]2H[pyrido]1,2-b] [1,2,4[triazin-7,9-dicarbonitryl derivatives

An efficient method for the synthesis of potentially biologically [2H]-pyrido [1,2-b]1,2,4-triazines derivatives is described via reaction of 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives with oxalyl chloride in DMF in the presence of pyridine as a base. The intramolecular hydrogen bonding (IMHB) interactions have been investigated at M06-2X/6-311++G(d,p) level of theory. The eight compounds (5a-h) characterized by geometries and energies. The Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) were performed to explore the nature of the hydrogen-bonding interactions in these compounds. The IMHB formed between the C[dbnd]O and N[sbnd]H groups. The theoretical calculations showed that the IMHB strength increases in the presence of electron-donor substituents. An opposite behavior was observed for electron-acceptor substituents.

Convenient Synthesis of New Boric Acid Catalyzed 1,2,4-Triazolopyridinone Derivatives and an Investigation of their Optical Properties

Syntheses of fused heterobicyclic systems containing 1,2,4-triazolopyridinone moieties were accomplished by heterocyclization of 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitriles and ninhydrin in ethanol and in the presence of boric acid as a catalyst in 30?min at room temperature. All compounds have been screened for their photophysical properties. Results showed that all compounds exhibit near infrared emissions at 876?nm.

A three component one-pot synthesis of N-amino-2-pyridone derivatives catalyzed by KF-Al2O3

Synthesis of 1,6-diamino-4-phenyl-3,5-dicyano-2-pyridone derivatives via a one-pot, three-component reaction of aryl aldehydes, malononitrile, and cyanoacetic hydrazide at room temperature using KF-Al2O3 as a recyclable catalyst have been developed. The reaction proceeds through the initial Knoevenagel condensation between aldehyde and malononitrile in the presence of KF-Al2O3 to form the benzylidene derivative which then undergoes Michael addition with cyanoacetic hydrazide followed by intramolecular cyclization of the resulting intermediate to produce the N-amino-2-pyridones in good to excellent yields. The structure of the synthesized compounds were characterized and established on the basis of their spectral data analysis and single-crystal XRD analysis.