8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione Chemical Properties

Melting point:

285 °C

Density 

1.71

storage temp. 

2-8°C

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

powder to crystal

pka

8.91±0.70(Predicted)

color 

White to Almost white

LogP

1.25 at 20℃

CAS DataBase Reference

666816-98-4

Safety Information

HS Code 

2933.99.8290

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione Usage And Synthesis

Chemical Properties

White powder

Synthesis

8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione (2.450 g, 10 mmol),1-bromo-2-butyne (1.596 g, 12 mmol), Sodium carbonate (1.590 g, 15 mmol), and 20mL of acetone was added to a 100mL flask. The reaction system was heated to 40 ° C, and the reaction was stirred for 4h. After the reaction was cooled to room temperature, suction filtration was performed, and the filter cake was washed with methanol to obtain a crude product as a pale yellow solid. The crude product was reconstituted with dichloromethane and cyclohexane. Yield 2.912 g of 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The yield was 98%, and the purity was 99.9%.

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