Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. 31643-49-9, formula is C8H3N3O2, Name is 4-Nitrophthalonitrile. Both routes are green in the sense that they do not generate stoichiometric amounts of salts. Application In Synthesis of 31643-49-9.
Gungordu Solgun, Derya;Yildiko, Umit;Agirtas, Mehmet Salih research published 《 Synthesis, photophysical, photochemical, and DFT properties of a zinc phthalocyanine with 2-(2-isopropyl-5-methylphenoxy)phenoxy peripheral groups》, the research content is summarized as follows. The 2-nitrophenol and 4-nitrophthalonitrile reagents were mixed in the presence of potassium carbonate in DMF under N2 at room temperature Then, by adding thymol(5-methyl-2-isopropylphenol) and continuing the reaction, 4-(2-(2-isopropyl-5-methylphenoxy)phenoxy)phthalonitrile was obtained. Zinc phthalocyanine (4) was formed from the reaction of ZnCl2 and 4-(2-(2-isopropyl-5-methylphenoxy)phenoxy)phthalonitrile (3) at 190°. Both compounds were soluble in most organic solvents. Compounds and were characterized by mass, IR, electronic absorption and NMR spectroscopies. The concentration-absorption relation of 4 was examined by UV spectroscopy. The photophys. and photochem. properties of 4 were investigated. The geometry-optimized structures of 4 were investigated with the DFT approach, B3PW91/6-31G (d,p), and B3LYP/LanL2DZ basis set. Energy properties, first order hyperpolarizability, and Fukui function calculations were also performed. Natural bond orbital anal. was performed to explain the charge transfer (or) charge delocalization due to intramol. interactions in phthalocyanine.
Application In Synthesis of 31643-49-9, 4-Nitrophthalonitrile, also known as 4-Nitrophthalonitrile, is a useful research compound. Its molecular formula is C8H3N3O2 and its molecular weight is 173.13 g/mol. The purity is usually > 95%.
4-Nitrophthalonitrile is a chemical substance that can be synthesized by the reaction of sodium carbonate with 3,4,5-trimethoxybenzyl alcohol. It can also be prepared using nitro phenol and sodium hydroxide. 4-Nitrophthalonitrile has been shown to have high photochemical activity in the presence of light. The frequency shift of its infrared spectrum is indicative of a nucleophilic addition reaction mechanism. 4-Nitrophthalonitrile has been used as an intermediate for producing other chemicals, such as herbicides and pharmaceuticals., 31643-49-9.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts