Application of 51762-67-5, A common heterocyclic compound, 51762-67-5, name is 3-Nitrophthalonitrile, molecular formula is C8H3N3O2, 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.
3-nitrophthalonitrile (0.99 g, 5.90 mmol) was dissolved in 15.0 ml DMF under argon atmosphere and 3,4-dimethoxythiophenol (1.00 g, 5.90 mmol) was added at room temperature. After stirring for 30 min at room temperature, finely ground anhydrous potassium carbonate (3.94 g, 28.4 mmol) was added portion wise for over 1 h and the reaction mixture was stirred at room temperature for 24 h. Then the mixture was poured into 100.0 ml ice water, and the precipitate was filtered off, washed with water and methanol, and then dried. The crude product was recrystallized from ethanol. Finally the pure product was dried in vacuum. Yield: 3.12 g (90%). FT-IR (cm-1) (KBr): 3070, 3004 (Ar-CH), 2960, 2934, 2840 (CH), 2230 (C?N), 1583, 1567, 1505 (C=C), 1461, 1439, 1417, 1401, 1328, 1259 (C-O-C), 765 (C-S-C). 1H NMR (CDCl3): delta = 7.65-7.06 (6H, m, Ar-H), 3.92 (3H, s, C-H), 3.82 (3H, s, C-H). Calcd for C16H12N2O2S: C, 64.90; H, 4.10; N, 9.45; S, 10.80; Found: C, 64.85; H, 4.14; N, 9.52; S, 10.85. MS (GC-MS) m/z: Calc.: 296.35, Found: 296 [M]+.
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:
Article; Arican, Duygu; Arici, Muersel; Ugur, Ahmet Luetfi; Erdo?mu?, Ali; Koca, Atif; Electrochimica Acta; vol. 106; (2013); p. 541 – 555;,
Nitrile – Wikipedia,
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