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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1791997Generated: October 30, 2026

Trifluoroacetic acid → HCID 69867178, compound

https://huagongshe.com/reaction/1791997

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantPotassium CarbonateHCID 11430—
ReactantEthyl iodoacetateHCID 12183—
ReactantTert-butyl 1,4-diazepane-1-carboxylateHCID 2756058—
Reactant3-Methyl-7-(3-methyl-2-buten-1-yl)-8-chloro-xanthineHCID 22029722—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
ProductHCID 69867178HCID 69867178—

Reaction Conditions

Temperature120 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07074798B2
Source datasetuspto-grants-2006_07
ORD IDord-13ba33f836d54cd4a64ddcc47e367714
Source noteuspto-grants-2006_07