Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 96606-37-0, name is 2,4,6-Trifluorobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 96606-37-0
a) To a solution of 2,4,6-trifluurobenzonitrile (1) (5g, 31.8 mmol, 1 eq.) in 50 mL of ethanol heated to 60C, was added hydrazine hydrate (50-60% solution) (3.4g, 63.6 mmol, ~2 eq.). ETpon consumption of 1 (monitored using TLC), the solvent was evaporated from the reaction mixture under vacuum. To the remaining white semisolid mass was added 50 mL water and the organic mass was extracted with ethyl acetate (3 X 50mL). The combined organic fractions were combined and washed with brine (100 mL). The organic fraction was separated and dried over sodium sulfate. Subsequently, evaporation of the organic layer provided ~6.5 g of white mixture that was utilized in the next reaction without further purification The above obtained crude product (6g, 35.5 mmol, 1 eq.) was suspended in lOOmL ethanol in a 250mL capacity sealed reaction vessel. 2-acetyldimedone (16. lg, 88.75 mmol, 2.5 eq), an orange colored oil, was subsequently added to the reaction vessel which was sealed and heated to l00C for 6 hr. The reaction vessel was allowed to cool to rt, ethanol was removed in vacuo, and the remaining mass was extracted with ethyl acetate (3X 100 mL) and water (200 mL). Organic layers were combined and washed with 100 mL water. Separated organic layer was dried using sodium sulfate and adsorbed onto silica, and purified using columnchromatography (S1O2, 3 :2 hexanes/ethyl acetate) to afford 2,6-difluoro-4-(3,6,6-trimethyl-4- oxo-4,5,6,7-tetrahydro-lH-indazol-l-yl)benzonitrile (2) (5.8 g, 52%) as light-yellow solid. 1H NMR (500 MHz, Chloroform-d) d 7.39 – 7.33 (m, 2H), 2.91 (s, 2H), 2.55 (s, 3H), 2.45 (s, 2H), 1.17 (s, 6H). 13C NMR (126 MHz, Chloroform-d) d 192.9, 164.5 (d, J = 6.5 Hz), 162.5 (d, J = 6.4 Hz), 151.8, 149.4, 144.5 – 144.1 (m), 118.8, 108.5, 106.2 (d, J = 4. l Hz), 106.0 (d, J = 3.9 Hz), 99.9, 52.0, 38.0, 36.0, 28.4 (2), 13.3. HRMS (ESI) m/z [M+H] calculated for C17H16F2N3O, 316.1261, found 316.1237.
According to the analysis of related databases, 96606-37-0, the application of this compound in the production field has become more and more popular.
Reference:
Patent; UNIVERSITY OF NOTRE DAME DU LAC; BLAGG, Brian; SANKET, Mishra; (0 pag.)WO2019/232223; (2019); A1;,
Nitrile – Wikipedia,
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