CAS 1704-19-4

Fórmula: C8H8N2O

InChI: InChI=1S/C8H8N2O/c1-5-3-8(11)10-6(2)7(5)4-9/h3H,1-2H3,(H,10,11)

Clave InChI: OSLDZOOVQHCMAM-UHFFFAOYSA-N

SMILES: CC1=CC(=O)NC(=C1C#N)C

6-Hydroxy-2,4-dimethylnicotinonitrile

CAS: 1704-19-4

Fórmula: C₈H₈N₂O

Pureza: 98%

Forma y color: Solid

Peso molecular: 148.165

Ref: 10-F097696

2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

CAS: 1704-19-4

2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carbonitrile is a nitrile that is synthesized by reacting 2,4-dimethylpyridine with formaldehyde. It has a molecular weight of 202.2 g/mol and density of 1.42 g/cm³ at 20 °C. The functional theory predicts the transformation of 2,4-dimethylpyridine to 2,4-dimethyl-6-oxo-1,6-dihydropyridine through the intermediate formation of formaldehyde and nitrile. This reaction can be confirmed by diffraction experiments and the experimental study on the pathway for this transformation. The experiment also revealed that 2,4-dimethylpyridine reacts with formaldehyde to produce formic acid as well as 6 molecules of water. The density functional theory supports the experimental data and predicts that there are two possible pathways for this

Fórmula: C₈H₈N₂O

Pureza: Min. 95%

Peso molecular: 148.16 g/mol

Ref: 3D-BAA70419