Application of 84547-86-4, A common heterocyclic compound, 84547-86-4, name is 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid, molecular formula is C5H5BrN2O2, 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.
Step D: Preparation of (4-Bromo-l-methyl-lH-pyrazoI-3-yl)-{4-[2-(2,4-difluoro- phenyl)-ethyl]-piperazin-l-yl}-methanone (Compound 84).In a heavy-walled sealed tube, 4-bromo-l -methyl- lH-pyrazole-3-carboxylic acid (0.0194 g, 0.0583 mmol), l-(2,4-difluorophenethyl)piperazine (0.0145 g, 0.0641 mmol), 0-(7- azabenzotriazol-l-yO-N^/V^/V^/V-tetramethyluronium hexafluorophosphate (0.0244 g, 0.0641 mmol), and triethylamine (0.0162 mL, 0.117 mmol) were combined in TEtaF (0.5 mL). The reaction mixture was heated at 100 0C for 10 min under microwave irradiation. The reaction mixture was concentrated and then purified by RP-EtaPLC. The best fractions were lyophilized to afford the TFA salt of the title compound (0.015 g) as a yellow solid. 1H NuMR (DMS0-<4 400 MHz) delta 2.90-3.80 (m, 10H), 3.87 (s, 3H), 4.18-4.40 (bs, IH), 4.45-4.69 (bs, IH), 7.07-7.16 (m, IH), 7.23-7.33 (m, IH), 7.39-7.47 (m, IH), 8.09 (s, IH). Exact mass calculated for C17H19BrF2N4O: 412.1; Found: LCMS m/z (%) = 413.1 (M+HT 79Br, 100%), 415.1 (M+H+ 81Br, 98%). The synthetic route of 84547-86-4 has been constantly updated, and we look forward to future research findings.