117509-71-4

Basic information

• Product Name: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4 -phenyl-
• Synonyms: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4 -phenyl-
• CAS NO: 117509-71-4
• Molecular Formula: C₁₆H₁₆N₂OS
• Molecular Weight: 284.38
• Mol File: 117509-71-4.mol

Chemical Properties

• Boiling Point: 462.6°Cat760mmHg
• Flash Point: 233.5°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 9.77E-09mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4 -phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4 -phenyl-(117509-71-4)
• EPA Substance Registry System: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4 -phenyl-(117509-71-4)

Safety Data

• Hazardous Substances Data: 117509-71-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H16N2OS/c1-10-14(11(2)19)15(12-7-5-4-6-8-12)13(9-17)16(18-10)20-3/h4-8,15,18H,1-3H3

Upstream product

• 116736-37-9 piperidinium 6-methyl-4-phenyl-5-acetyl-3-cyano-1,4-dihydropyridine-2-thiolate 
• 74-88-4 methyl iodide 
• 95613-39-1 5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridine-2(3H)-thione 
• 40219-06-5 benzylidenecyanothioacetamide 

Downstream Products

• 117491-10-8 5-Acetyl-6-methyl-2-methylsulfanyl-4-phenyl-nicotinonitrile 

Relevant articles and documents

New Multicomponent Synthesis of Functionalized Nitriles and Esters of 6-Alkylsulfanyl-1,4-dihydronicotinic Acids

Abstract: The multicomponent condensation of malononitrile, hydrogen sulfide, aryl orhetaryl aldehydes, 1,3-dicarbonyl compounds and alkylating reagents affordedfunctionalized nitriles and esters of 6-alkylsulfanyl-1,4-dihydronicotinicacids, their aromatic analogues and 1,4-dihydrothieno[2,3-b]pyridines.

Synthesis and antiradical activity of 5-acetyl-2-alkylthio-4-aryl-6-methyl-1,4-dihydropyridine-3-carboxylic acid nitriles

The alkylation of 3-cyano-1,4-dihydropyridine-2(3H)-thiones or the condensation of an aromatic aldehyde, cyanothioacetamide, acetylacetone, and methyl iodide in the presence of piperidine has given a series of novel 5-acetyl-2-alkylthio-4-aryl-6-methyl-1,4-dihydropyridine-3-carboxylic acid nitriles. A compound was obtained from 3,5-di(tert-butyl)-4-hydroxybenzaldehyde in the molecule of which were combined the active part of the antioxidant ionol and a 1,4-dihydropyridine ring. It was found that, among the compounds synthesized, the highest antiradical activity occurred in a compound having two hydroxyl groups in the 4-phenyl substituent.