HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 361537Generated: October 26, 2026
Water → 1-(4-(S)-Methyl-8-methylnon-7-enyl)-3,7-dimethylxanthine
https://huagongshe.com/reaction/361537
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | 1-methanesulfonyl-4-(S)-methyl-8-methylnon-7-ene | HCID 22861490 | — |
| Reactant | Theobromine sodium | HCID 66980828 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | 1-(4-(S)-Methyl-8-methylnon-7-enyl)-3,7-dimethylxanthine | HCID 22861487 | 30% |
Reaction Steps
To a suspension of sodium theobromine (4.05 g, 20.0 mmol) in dimethylsulfoxide (50 mL) was added 1-methanesulfonyl-4-(S)-methyl-8-methylnon-7-ene and the reaction stirred for 16 hours at 60° C. The mixture was then poured into water (100 mL) and extracted with ethyl acetate (100 mL, 2×50 mL). The organic portions were combined, dried using magnesium sulfate, and evaporated to give a residue which was purified by column chromatography (ethyl acetate/hexane) to yield 1.83 g (30% yield) 1-(4-(S)-Methyl-8-methylnon-7-enyl)-3,7-dimethylxanthine (inventive compound no. 2536S) as a white solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05866576 |
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| Source dataset | uspto-grants-1999_02 |
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| ORD ID | ord-1f17bbdc6a9142a5b92b19f1b010fec2 |
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| Source note | uspto-grants-1999_02 |
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