| product Name |
8-bromo-7-but-2-yn-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Synonyms |
1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-; 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione; 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione; 8-Bromo-7-(2-Butyn-A-Yl)-3,7-Dihydro-3-Methyl-1-1H-Purine-2,6-Dione; 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine; 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione; 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine |
| Molecular Formula |
C10H9BrN4O2 |
| Molecular Weight |
297.1081 |
| InChI |
InChI=1/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17) |
| CAS Registry Number |
666816-98-4 |
| Molecular Structure |
|
| Density |
1.71g/cm3 |
| Refractive index |
1.694 |
| 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%. |
| Raw materials |
8-Bromo-3-methyl-xanthine–>1-BROMO-2-BUTYNE |
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