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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1954159Generated: November 2, 2026

Water → 1-(12-Tridecenyl)-3,7-dimethylxanthine

https://huagongshe.com/reaction/1954159

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant13-Bromotridec-1-eneHCID 14826265—
ReactantTheobromine sodiumHCID 66980828—
SolventDimethyl SulfoxideHCID 679—
Product1-(12-Tridecenyl)-3,7-dimethylxanthineHCID 1548683750%

Reaction Conditions

Temperature60 °C

Reaction Steps

To a suspension of sodium theobromine (2.22 g, 11.0 mmol) in dimethylsulfoxide (25 mL) was added 12-tridecenyl bromide and the reaction stirred for 16 hours at 60° C. The mixture was then poured into water (80 mL) and extracted with dichloromethane (3×50 mL). The combined organic portions were washed with water (3×100 mL), dried using magnesium sulfate, and evaporated to give a gummy residue. Purification by column chromatography using an ethyl acetate/hexane eluant yields 1.89 g (50% yield) 1-(12-Tridecenyl)-3,7-dimethylxanthine (inventive compound no. 2555) as a white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06121270
Source datasetuspto-grants-2000_09
ORD IDord-34cef728a4eb4b1c9880d91e33f4753c
Source noteuspto-grants-2000_09