In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 4513-77-3 as follows. COA of Formula: C7H9NO
2-Oxocyclohexane carbonitrile (5) (3.0 g, 0.024 mol), methyl-2-sulfanyl- acetate (6) (3.1 g, 0.029 mol) and p-toluenesulfonic acid (3.3 g, 0.024 mol) were dissolved in anhydrous acetic acid (100 mL) and the solution was stirred at room temperature for 40 h. The solvent was removed and the organic residue was dissolved in chloroform (150 mL) and then the mixture was washed with 2M NaOH (100 mL) and distilled water (3×50 mL). The organic phase was dried over MgSO4 and the solvent was evaporated. The product contained a mixture of two diastereoisomers (2:1). The pure major diastereoisomer was obtained after addition of Et2O (10 mL), subsequent sonification (5 min) and cooling down the solution in a freezer. The filtration of the precipitate offered a white solid, 3.00 g (63%). Mp 110-111 C; deltaH (CDCl3): 1.26 – 1.58 (2m, 2H, H7), 1.72 – 2.07 (2m, 4H, H8 and H9), 2.13 – 2.21 (m, 2H, H10), 3.03 – 3.07 (dd, J = 4.0, 10.7 Hz, 1H, H6), 3.74 (d, J = 16.8 Hz, 1H, one of H2), 4.04 (d, J = 16.8 Hz, 1H, one of H2); deltaC (CDCl3): 22.6 and 23.0 (2CH2 – C4 and C5), 27.9 (CH2 – C6), 32.4 (CH2 – C3), 39.5 (CH2 – C8), 42.2 (CH – C2), 91.0 (Ckv – C1), 118.5 (Ckv – C?N), 171.1 (Ckv – C10); IR (KBr): 935, 1016, 1061, 1117, 1196, 1227, 1255, 1350, 1404, 1446, 1618, 1782, 2243 (C?N), 2860, 2933, 2956, 2987; MS (EI, 70 eV): m/z (%) = 32 (80), 42 (40), 55 (55), 96 (30), 108 (10), 124 (100), 129 (35), 197 (M+, 35).
According to the analysis of related databases, 4513-77-3, the application of this compound in the production field has become more and more popular.
Reference:
Article; Tenora, Luka?; Buchlovi?, Marian; Man, Stanislav; Pota?ek, Milan; Tetrahedron Letters; vol. 52; 3; (2011); p. 401 – 403;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts