HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 129881Generated: October 25, 2026
Acetic Acid → 1-(8-Acetoxy-9-bromononyl)-3,7-dimethylxanthine
https://huagongshe.com/reaction/129881
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Hydrogen Bromide | HCID 260 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 1-(8,9-Dihydroxynonyl)-3,7-dimethylxanthine | HCID 9840808 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 1-(8-Acetoxy-9-bromononyl)-3,7-dimethylxanthine | HCID 15338597 | 96% |
Reaction Steps
A mixture of 1-(8,9-dihydroxynonyl)-3,7-dimethylxanthine (428 mg, 1.3 mmol) and 30% hydrogen bromide in acetic acid (0.8 ml, 3.9 mmol) was stirred for 90 minutes. The solution was poured into a mixture of water (10 ml), sodium bicarbonate (1.35 g), and dichloromethane (10 ml). After 10 minutes of vigorous stirring the layers were separated and the aqueous portion was extracted with dichloromethane (3×15 ml). The combined organic phases were dried over sodium sulfate and the solvent was evaporated under vacuum to give 1-(8-acetoxy-9-bromononyl)-3,7-dimethylxanthine (550 mg, 96% yield) as a yellow oil. Without further purification, the oil was dissolved in methanol (5 ml) and then a 1M solution of sodium methoxide in methanol (1.4 ml) was added. After 30 minutes the reaction mixture was poured into water (30 ml) and extracted with dichloromethane (3×40 ml). The combined organic phases were dried over sodium sulfate and the solvents evaporated under vacuum. The solid residue was recrystallized (dichloromethane-petroleum ether) to give 1-(8,9-oxidononyl)-3,7-dimethylxanthine (380 mg, 91% yield).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05470878 |
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| Source dataset | uspto-grants-1995_11 |
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| ORD ID | ord-90e883bca33d486aaae47fda1cfacd71 |
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| Source note | uspto-grants-1995_11 |
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