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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 361497Generated: October 26, 2026

Water → HCID 23295974, compound

https://huagongshe.com/reaction/361497

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantEthyl acetate hexaneHCID 21226206—
ReactantHCID 23295870HCID 23295870—
ReactantTheobromine sodiumHCID 66980828—
SolventDimethyl SulfoxideHCID 679—
ProductHCID 23295974HCID 2329597448.8%

Reaction Conditions

Temperature60 °C

Reaction Steps

To a suspension of sodium theobromine (9.05 g, 50.0 mmol) in dimethylsulfoxide (90 mL) was added 7-methanesulfonyl-1-heptene (9.30 g, 48.2 mmol). The reaction was stirred for 16 hours at 60° C. The mixture was then poured into water (100 mL) and extracted with ethyl acetate (3×100 mL). The organic portions were combined, dried, and evaporated to give an orange solid. Chromatography (silica, ethyl acetate/hexane) yielded 6.50 g (47% yield) 1-(6-Heptenyl)-3,7-dimethylxanthine (inventive compound no. 1534) as a white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05866576
Source datasetuspto-grants-1999_02
ORD IDord-696635abf8234077a4c14a62aa0ef9a4
Source noteuspto-grants-1999_02