Electric Literature of 96606-37-0,Some common heterocyclic compound, 96606-37-0, name is 2,4,6-Trifluorobenzonitrile, molecular formula is C7H2F3N, 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.
In analogy to GP1a, 5 g of 2,4,6-trifluorobenzonitrile (31.83 mmol, 1 eq; commercially available) and 4.45 ml of 2-((R)-2,2-Dimethyl-[1 ,3]dioxolan-4-yl)-ethanol (31.83 mmol, 1 eq; commercially available) were dissolved in 150 ml of THF, treated with 2.78 g sodium hydride (62.66 mmol; 2 eq.) and stirred at rt for 2 h. The reaction mixture was poured onto 50 ml of water and extracted three times with 100 ml of ethyl acetate each. The organic layer was washed twice with brine, dryed over sodium sulfate, filtered off to afford 5.21 g (57.79% yield, 18.39 mmol) of the desired product.1H-NMR (dbeta-DMSO; 300 MHz): 6.52 – 6.57 (m, 2 H); 4.30 – 4.36 (m, 1 H); 4.10 – 4.23 (m, 3 H); 3.67 (dd, 1 H); 2.11 – 2.20 (m, 1 H); 2.00 – 2.08 (m, 1 H); 1.42 (s, 3 H); 1.35 (s, 3
The synthetic route of 96606-37-0 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; BAYER SCHERING PHARMA AKTIENGESELLSCHAFT; BAYER HEALTHCARE AG; WO2008/138639; (2008); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts