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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 925574Generated: October 29, 2026

Sodium Iodide → 6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrile

https://huagongshe.com/reaction/925574

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium IodideHCID 5238—
ReactantDimethylformamideHCID 6228—
ReactantSodium CyanideHCID 8929—
Reactant2-Chloro-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-oneHCID 66803294—
SolventWaterHCID 962—
Product6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrileHCID 6680356967%

Reaction Conditions

Temperature60 °C

Reaction Steps

A mixture of 2-Chloro-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-one (4.0 g, 9.16 mmol), NaCN (0.67 g, 13.74 mmol), NaI (2.0 g, 9.16 mmol) and DMF (30 ml) were stirred for 48 hrs at 60° C. Reaction mixture was cooled to 20-25° C. and water was added and solid filtered off. The crude product was purified by column chromatography using silica gel (100-200 mesh) and 2 to 4% methanol in DCM as an eluent to obtain 6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrile (2.6 g, 67%) as an off white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09284316B2
Source datasetuspto-grants-2016_03
ORD IDord-05d2244c69964e45afe2b09875c89b88
Source noteuspto-grants-2016_03