Some common heterocyclic compound, 939-80-0, name is 4-Chloro-3-nitrobenzonitrile, molecular formula is C7H3ClN2O2, 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. HPLC of Formula: C7H3ClN2O2
1) Production of 4-isobutoxy-3-nitrobenzonitrile 19.5 g of 4-chloro-3-nitrobenzonitrile was dissolved in 200 ml of DMF, and after 16.0 g of 2-methyl-1-propanol, 30 g of potassium carbonate and 7.1g of potassium iodide were added thereto, the mixture was heated and stirred at 80C for 24 hours. Water was added to the reaction mixture, which was then extracted with ethyl acetate. The ethyl acetate layer was washed with a saturated saline solution and dried over magnesium sulfate. After the magnesium sulfate was filtered off, solvent was evaporated under reduced pressure and the residue was subjected to silica gel column chromatography. Hexane-ethyl acetate (10:1) was used as an eluent and 5.9 g of the object compound was obtained as a pale yellow crystal.1H-NMR(CDCl3)deltappm: 1.07(6H, d, J=6.76Hz), 2.11?2.25(1H, m), 3.94(2H, d, J=6.43Hz), 7.15 (1H, d, J=8.91Hz), 7.81(1H, dd, J=8.91, 2.15Hz), 8.14(1H, d, J=2.15Hz)
These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 939-80-0, its application will become more common.
Reference:
Patent; Fuji Yakuhin Co., Ltd.; EP1471065; (2004); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts