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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2374301Generated: October 30, 2026

Hydrochloric Acid → 7-Benzyl-3-pentyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one

https://huagongshe.com/reaction/2374301

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantSodium HydroxideHCID 14798—
ReactantPhosphorus sulfide (P2S5)HCID 14817—
Reactant7-Benzyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dioneHCID 59853853—
SolventWaterHCID 962—
Solvent1,4-DioxaneHCID 31275—
Product7-Benzyl-3-pentyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-oneHCID 5985382761.8%

Reaction Conditions

Temperature100 °C

Reaction Steps

7-Benzyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dione (2.0 g, 6.4 mmol) and phosphorus pentasulfide (3.0 g, 6.7 mmol) were mixed in 1,4-dioxane (20 mL). After stirring at 100° C. for 6 h, the reaction mixture was treated with a 2 M solution of sodium hydroxide in water (20 mL). Then the reaction mixture was adjusted to be acidic (pH ˜4) with 2 N HCl and extracted with EtOAc. The organic layer was concentrated, and the solid formed was washed with ether to provide the product as a yellow solid (1.30 g, 61.8% yield). LCMS calculated for C17H21N4OS (M+H): 329.1; found: 329.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07462624B2
Source datasetuspto-grants-2008_12
ORD IDord-8f81b79440ae4c04875f1c8f3dac7142
Source noteuspto-grants-2008_12