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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | 13-Bromotridec-1-ene | HCID 14826265 | — |
| Reactant | Theobromine sodium | HCID 66980828 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | 1-(12-Tridecenyl)-3,7-dimethylxanthine | HCID 15486837 | 50% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06121270 |
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| Source dataset | uspto-grants-2000_09 |
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| ORD ID | ord-34cef728a4eb4b1c9880d91e33f4753c |
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| Source note | uspto-grants-2000_09 |
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