Application of 81606-79-3, A common heterocyclic compound, 81606-79-3, name is 2-(1,2,4-Triazol-1-yl)acetonitrile, molecular formula is C4H4N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.
A mixture of tert-butyl 3-formylphenethylcarbamate (1 g, 4 mmol), 2-(lH-l,2,4- triazol-l-yl)acetonitrile (434 mg, 4 mmol) and DBU (610 mg, 4 mmol) in anhydrous THF (10 mL) was stirred at rt for 4 h. The mixture was concentrated to dryness. The residue was purified via silica chromatography and a gradient of 10 %-60 % EtOAc in Hexanes to afford the title compound as yellow oil (500 mg, 36 %).
The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.
Reference:
Patent; PRINCIPIA BIOPHARMA INC.; LOU, Yan; OWENS, Timothy Duncan; BRAMELD, Kenneth Albert; GOLDSTEIN, David Michael; (171 pag.)WO2019/99576; (2019); A1;,
1,2,3-Triazole – Wikipedia,
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