Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 547994Generated: October 31, 2026

Acetonitrile → HCID 68672745, compound

https://huagongshe.com/reaction/547994

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
Reactant1H-1,2,4-TriazoleHCID 9257—
ReactantPhosphorus oxychlorideHCID 24813—
ReactantHCID 86598590HCID 86598590—
ProductHCID 68672745HCID 6867274575%

Reaction Conditions

Temperature0 °C

Reaction Steps

1,2,4-triazole (3.73 g, 54 mmol) was suspended in dry acetonitrile (42 mL) and cooled to 0° C. in an ice bath. POCl3 (1.44 mL, 15.4 mmol) was added drop wise with stirring. TEA (10.73 mL, 77 mmol) was added slowly with vigorous stirring and the mixture was stirred at this temperature for an additional 30 min. A solution of Compound 19 (2.43 g, 3.85 mmol) in dry acetonitrile (14 mL) was added and the mixture stirred at 0° C. for 2 h and at room temperature for 1 hr. The solvents were removed under reduced pressure and the residue taken up in ethyl acetate. The ethyl acetate solution was washed twice with saturated sodium bicarbonate solution, once with brine and dried over anhydrous sodium sulfate. The solvents were removed under reduced pressure and the residue was taken up in dioxane (40 mL) and 30% ammonium hydroxide solution (20 mL) was added. The mixture was stirred in a sealed flask overnight at room temperature. The solvents were removed under reduced pressure and the residue purified by flash chromatography (10% methanol in dichloromethane) to give Compound 20, (2.0 g) in 75% yield.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07939677B2
Source datasetuspto-grants-2011_05
ORD IDord-8d439ccc5bd147d59861e25e6ff04ed0
Source noteuspto-grants-2011_05