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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1046830Generated: October 28, 2026

Sodium Bicarbonate → 7-(4-Cyanophenyl)-5-methyl-2-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

https://huagongshe.com/reaction/1046830

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
Reactant4-(2-Cyano-3-oxobut-1-en-1-yl)benzonitrileHCID 66628080—
ReactantHCID 178440450HCID 178440450—
SolventDimethylformamideHCID 6228—
Product7-(4-Cyanophenyl)-5-methyl-2-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrileHCID 136355676—

Reaction Conditions

Temperature55 °C

Reaction Steps

Under an atmosphere of argon, 3-isopropyl-1H-1,2,4-triazole-5-amine (241 mg, 1.9 mmol) and 4-(2-cyano-3-oxobut-1-en-1-yl)benzonitrile (300 mg, 1.5 mmol, 0.8 eq.) were dissolved in DMF (3 ml), and solid sodium bicarbonate (803 mg, 9.6 mmol, 5 eq.) was added. The mixture was stirred at 55° C. overnight. The mixture was then filtered and the DMF was distilled off from the filtrate under reduced pressure. The residue was suspended in methanol (2 ml), and the solid was then filtered off and dried under high vacuum (34 mg, 7% of theory). The filtrate was acidified with 1 N hydrochloric acid and purified by preparative HPLC (Kromasil C18 column, 30×250 mm; mobile phase: acetonitrile-water-0.1% TFA), which gave a second product fraction (67 mg, 13% of theory) as a solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08569314B2
Source datasetuspto-grants-2013_10
ORD IDord-8be775331dd0458185c33a60e3b7d307
Source noteuspto-grants-2013_10