Synthetic Route of 937046-98-5, A common heterocyclic compound, 937046-98-5, name is 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine, molecular formula is C6H5BrN4, 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.
Intermediate B (230 mg, 1.08 mmol) and the product from step 2 (396 mg, 1.30 mmol) were dissolved in 5 mL of 3:2 dioxane:toluene and degassed via a vacuum/N2 purge (3 cycles). 1 ,1′-Bis(diphenylphosphino)ferrocenepalladium(ll) chloride-dichloromethnane complex (39 mg, 0.05 mmol) was added followed by 2.2 mL of 2M aqueous Na2CO3 and the mixture was heated with stirring to 85 0C overnight. The dark green reaction mixture was cooled to room temp, filtered through a Celite pad and the pad washed well with EtOAc. The organic phase was washed with water, 2M aqueous Na2CO3, water and brine, dried over Na2SO4, filtered and concentrated. The residue was purified by lsoc Red-Sep 40, 80% – 100% EtOAc/hexanes to give 173 mg (41%) of the title compound. 1H-NMR (DMSO-cfe) .8 7.90 (s, 1 H), 7.75 (bs, 2H), 7.61, (S, 1H), 7.53 (d, 1 H), 7.28 (t, 1 H), 7.02 (d, 1 H), 6.97 (d, 1 H), 6.83 (dd, 1H) 3.45 (m, 4H), 3.16 (m, 4H), 1.43 (s, 9H); LC-MS [M+H]+ = 395.10, RT = 2.71 min.
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; BAYER PHARMACEUTICALS CORPORATION; WO2007/56170; (2007); A2;,
Bromide – Wikipedia,
bromide – Wiktionary