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ChemicalBook >  Product Catalog >  Biochemical Engineering >  Nucleoside drugs >  Nucleotides and their analogs >  8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

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

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

Product Name:
8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Synonyms:
  • 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
  • 8-broMo-7-(but-2-ynyl)-3-Methyl-3,7-dihydropurine-2,6-dione
  • 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine
  • 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • 8-broMo-7-(but-2-yn-1-yl)-3-Methyl-1H-purine-2,6(3H,7H)-dione
  • 8-broMo-7-but-2-yn-1-yl-3-Methyl-3,7-dihydro-1H-purine-2,6-dione
  • 8-BroMo-7-(2-butyn-a-yl)-3,7-dihydro-3-Methyl-1-1H-purine-2,6-dione
  • Linagliptin interMediateC
CAS:
666816-98-4
MF:
C10H9BrN4O2
MW:
297.11
EINECS:
613-975-8
Product Categories:
  • 666816-98-4
Mol File:
666816-98-4.mol
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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
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Safety Information

HS Code 
2933.99.8290
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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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