Synthetic Route of 50846-36-1, A common heterocyclic compound, 50846-36-1, name is 2-Amino-2-methylpropanenitrile hydrochloride, molecular formula is C4H9ClN2, 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.
Triethylamine (93 mL, 683 mmol, 3 equiv) was added to a solution of compound 32 (46 g, 228 mmol, 1 equiv) and HBTU (99 g, 262 mmol, 1.15 equiv) in DMF (690 mL). After stirring at room temperature for 30 minutes, 2-amino-2-methylpropanenitrile hydrochloride (35.7 g, 296 mmol, 1.3 equiv) was added and the reaction mixture was stirred overnight. The solution was poured into water (4 L) (0512) and extracted with ethyl acetate (3 L). The organic layer was separated, washed with saturated brine (2 L) and concentrated under reduced pressure. The crude product which was dissolved in dichloromethane and purified over silica gel (0.7 Kg), eluting with a gradient of 10 to 20% ethyl acetate in heptanes to give 6-bromo-N-(2-cyanopropan-2-yl)picolinamide.
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; PLEXXIKON INC.; ZHANG, Chao; WU, Guoxian; SPEVAK, Wayne; GUO, Zuojun; ZHANG, Ying; (138 pag.)WO2018/226846; (2018); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts