Research on new synthetic routes about C7H3BrClF3

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.

Related Products of 454-78-4, A common heterocyclic compound, 454-78-4, name is 2-Bromo-1-chloro-4-(trifluoromethyl)benzene, molecular formula is C7H3BrClF3, 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.

To a solution of l-bromo-2-chloro -4-(trifluoromethyl)benzene (1.5 mL, 10 mmol) in 30 mL of anhydrous THF was added Pd(PPh3)2Cl2 (351mg, 0.5 mmol), triphenylphosphine (65 mg, 0.25 mmol), ethynyl(trimethyl)silane (2.12 mL, 15 mmol), and triethylamine (2.1 mL, 15 mmol). The reaction was stirred at room temperature for 20 minutes after which CuI (23 mg, 0.12 mmol) was added to the solution and the reaction was stirred at room temperature for 16 hours. The reaction was then concentrated in vacuo and the resulting residue was dissolved in hexanes, filtered through Celite and again concentrated in vacuo. The residue was purified by flash column chromatography using 100% hexanes to afford the desired product as a dark brown oil. 1H NMR (CDCl3, 500MHz: 7.8 (d, 7=1.6 Hz, IH), 7.5 (m, 2H), 0.23 (s, 9H).

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; MERCK & CO., INC.; WO2006/14618; (2006); A2;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics