Category: 621-50-1

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 621-50-1, name is 2-(3-Nitrophenyl)acetonitrile, A new synthetic method of this compound is introduced below., Product Details of 621-50-1

To a solution of 3 (400.0 mg, 2.47 mmol) in anhydrous THF (5 mL) was slowly added a suspension of 60% sodium hydride in mineral oil (641.4 mg, 16.03 mmol) in anhydrous THF (4.2 mL) under argon at 0 C. Methyl iodide (1.23 mL, 19.74 mmol) was added to the mixture. The temperature was allowed to rise to room temperature and stirred for 16 h. After being quenched by the addition of water, the aqueous layer was extracted with EtOAc (2 ¡Á 15 mL). The combined organic extracts were washed with brine, dried over anhydrous Na2SO4, filtered. The residue was purified by column chromatography on silica gel (EtOAc/hexane, 5:95 to 10:90) to afford 4 (141.3 mg, 30%) as a brown solid; 1H NMR (CDCl3, 400 MHz) 8.31 (1 H, t, J = 2.3 Hz), 8.21-8.19 (1 H, m), 7.90-7.87 (1 H, m), 7.61 (1 H, t, J = 7.8 Hz), 1.79 (6 H, s); 13C NMR (CDCl3, 100 MHz) 148.5, 143.5, 131.6, 130.1, 123.3, 123.0, 120.1, 37.1, 28.9.

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; Suebsuwong, Chalada; Pinkas, Daniel M.; Ray, Soumya S.; Bufton, Joshua C.; Dai, Bing; Bullock, Alex N.; Degterev, Alexei; Cuny, Gregory D.; Bioorganic and Medicinal Chemistry Letters; vol. 28; 4; (2018); p. 577 – 583;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Synthetic Route of 621-50-1, A common heterocyclic compound, 621-50-1, name is 2-(3-Nitrophenyl)acetonitrile, molecular formula is C8H6N2O2, 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.

(c) 5-Phenyl-furan-2-carboxylic acid [3-(lH-tetrazol-5- ylmethyl)-phenyl]-amide (75); (i) (3-Amino-phenyl)-acetonitrile (80); A solution of 3-nitrophenyl acetonitrile (500 mg, 3.1 mmol) in 5% AcOH (10 ml) was heated to 80C. Iron powder (1.5 g, 27 mmol) was then added and the resulting mixture stirred for 2 h. The reaction mixture was filtered through celite and the filter cake washed with MeCN (4 x 50 ml). The combined MeCN layers were evaporated in vacuo and the residue was re-dissolved in EtOAc (30 ml) followed by 2M HC1 (30 ml). The aqueous layer was separated, basified to pH 10 with 6M NaOH, and extracted with EtOAc (3 x 80 ml). The combined organic layers were dried (MgSO4), filtered and the solvent removed in vacuo to give the title compound. Yield: 140 mg, 34% ; 1H NMR (400 MHz, CDC13) : 5 3.65 (s, 2H), 3.75 (s, 2H), 6.60-6. 70 (m, 3H), 7.15 (t, 1H)

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; PHARMAGENE LABORATORIES LIMITED; WO2005/80367; (2005); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts