HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1791997Generated: October 30, 2026
Trifluoroacetic acid → HCID 69867178, compound
https://huagongshe.com/reaction/1791997
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | Ethyl iodoacetate | HCID 12183 | — |
| Reactant | Tert-butyl 1,4-diazepane-1-carboxylate | HCID 2756058 | — |
| Reactant | 3-Methyl-7-(3-methyl-2-buten-1-yl)-8-chloro-xanthine | HCID 22029722 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 69867178 | HCID 69867178 | — |
Reaction Steps
8-Chloro-3-methyl-7-(3-methylbut-2-enyl)-3,7-dihydropurine-2,6-dione (100 mg) and potassium carbonate (103 mg) were suspended in N,N-dimethylformamide (2 ml), ethyl iodoacetate (66 μl) was added thereto, and the mixture was stirred at 120° C. for 2 hours and 30 minutes. The reaction mixture was diluted with ethyl acetate and water, extracted with ethyl acetate, and after washing with water the solvent was removed by distillaion at reduced pressure from the organic layer to give a brown solid. The resulting brown solid (30 mg) and 1-homopiperazine carboxylic acid tert-butyl ester (49 μl) were stirred at 140° C. for 1 hour, then trifluoroacetic acid (0.5 ml) was added thereto, and the reaction mixture was stirred at room temperature for 30 minutes. After removing the solvent by distillation at reduced pressure from the reaction mixture, the residue was purified by HPLC with a reversed phase column using water-acetonitrile-trifluoroacetic acid system as eluent to give 21.2 mg of the title compound.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07074798B2 |
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| Source dataset | uspto-grants-2006_07 |
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| ORD ID | ord-13ba33f836d54cd4a64ddcc47e367714 |
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| Source note | uspto-grants-2006_07 |
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