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. 288251-96-7, name is 2-Isobutyl-5-nitrobenzonitrile, A new synthetic method of this compound is introduced below., Computed Properties of C11H12N2O2
To a mixture of 2-isobutyl-5-nitrobenzonitrile (500 mg, 2.9 mmol), cuprous bromide (86 mg, 0.6 mmol), cupric bromide (1.3 g, 5.8 mmol), hydrobromic acid (364 muL, 6.7 mmol) and acetonitrile (20 mL) in a 100 mL single-neck flask cooled in an ice bath was added a solution of sodium nitrite (242 mg, 3.0 mmol) in acetonitrile slowly. After stirred in the ice bath for half an hour, the mixture was slowly warmed to room temperature and stirred overnight. After the materials had all reacted when being determined by TLC, solvent was removed in vacuo, and saturated sodium chloride (20 mL) was added. The mixture was extracted with ethyl aceate (8 mL) and dried over anhydrous sodium sulfate. The organic layers were combined and concentrated in vacuo, and the cruded product was separated by a silica gel column (eluent: 100% of petroleum ether) to give a product (white solid, 260 mg), with a yield of 37.8%. 1H NMR (400 MHz, CDCl3) delta 7.72 (s, 1H), 7.61 (d, J = 8.4 Hz, 1H), 7.16 (d, J = 8.4 Hz, 1H), 2.66 (d, J = 7.3 Hz, 2H), 2.01 – 1.88 (m, 1H), 0.94 (d, J = 6.6 Hz, 6H).
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; Fudan University; WANG, Yonghui; HUANG, Yafei; QIU, Ruomeng; TANG, Ting; (68 pag.)EP3581561; (2019); A1;,
Nitrile – Wikipedia,
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