3,6-Dichloropyridazine-4-carbonitrile

A mixture of 3, 6-dichloropyridazine-4-carboxamide (5.7 g, 29.69 mmol, 1.00 equiv) and phosphorus oxychloride (50 mL) was heated to reflux for 1 hour. The resulting mixture wasconcentrated under vacuum and the residue was dissolved in dichloromethane. The resulting solution was washed with water and brine, dried over anhydrous sodium sulfate, and concentrated under vacuum. The residue was purified by silica gel column chromatography eluting with ethyl acetate/petroleum ether (1:5). This resulted in the title compound (5.1 g, 99percent) as a light yellow solid.A mixture of 3, 6-dichloropyridazine-4-carboxamide (5.7 g, 29.69 mmol, 1.00 equiv) and phosphorus oxychloride (50 mL) was heated to reflux for 1 hour. The resulting mixture wasconcentrated under vacuum and the residue was dissolved in dichloromethane. The resulting solution was washed with water and brine, dried over anhydrous sodium sulfate, and concentrated under vacuum. The residue was purified by silica gel column chromatography eluting with ethyl acetate/petroleum ether (1:5). This resulted in the title compound (5.1 g, 99percent) as a light yellow solid.

Molecular Weight:173.98
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Exact Mass:172.9547524
Monoisotopic Mass:172.9547524
Topological Polar Surface Area:49.6
Heavy Atom Count:10
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes