Some common heterocyclic compound, 14531-55-6, name is 3,5-Dimethyl-4-nitro-1H-pyrazole, molecular formula is C5H7N3O2, 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. Computed Properties of C5H7N3O2
6.72 g (47.6 mmol) 3,5-Dimethyl-4-nitro-1H-pyrazole were heated with 7.52 g (57.1 mmol) 3-(chloromethyl)-5-methyl-1,2-oxazole (CAS-No. 35166-37-1) and 8.53 mL (57.1 mmol) 1,8-diazabicyclo[5.4.0]undec-7-ene in 25 mL dimethylsulfoxide to 60C overnight. Water was added to the reaction mixture, and extracted with ethyl acetate. The combined organic phase was washed with water and brine, dried, filtered, and evaporated. The crude title compound (10 g) was used without further purification. 1H NMR (400 MHz, DMSO-d6): delta [ppm] = 2.37 (s, 3H), 2.39 (s, 3H), 2.61 (s, 3H), 5.42 (s, 2H), 6.16 (s, 1H).
These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 14531-55-6, its application will become more common.
Reference:
Patent; BAYER PHARMA AKTIENGESELLSCHAFT; HEISLER, Iring; MUeLLER, Thomas; BUCHMANN, Bernd; CLEVE, Arwed; SIEBENEICHER, Holger; KOPPITZ, Marcus; SCHNEIDER, Dirk; BAUSER, Marcus; HEROULT, Melanie; NEUHAUS, Roland; PETRUL, Heike; QUANZ-SCHOeFFEL, Maria; (482 pag.)WO2016/202898; (2016); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics