Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. 20099-89-2, formula is C9H6BrNO, Name is 4-(2-Bromoacetyl)benzonitrile. Both routes are green in the sense that they do not generate stoichiometric amounts of salts. Related Products of 20099-89-2.
Tunel, Hasan;Er, Mustafa;Alici, Hakan;Onaran, Abdurrahman;Karakurt, Tuncay;Tahtaci, Hakan research published 《 Synthesis, structural characterization, biological activity, and theoretical studies of some novel thioether-bridged 2,6-disubstituted imidazothiadiazole analogues》, the research content is summarized as follows. In this study, thioether-bridged imidazo[2,1-b][1,3,4]thiadiazole derivatives that contained both imidazole and 1,3,4-thiadiazole I [X=Y = F, Cl; R’ = H, F, Cl, etc. ] were synthesized from the reactions of 2-amino-1,3,4-thiadiazole with phenacyl bromide (at yields of 59% to 74%). The structure of the synthesized compounds I was characterized using 1H NMR, 13C NMR, Fourier-transform IR spectroscopy, elemental anal., mass spectroscopy, and X-ray diffraction anal. Mycelial growth, mycelial growth inhibition, min. inhibitory concentration, min. fungicidal concentration, and LD values against various plant pathogenic fungi were determined for all of the target compounds I synthesized in the study. The test results showed that most of the compounds I had moderate to good antifungal activity. In addition, the absorption, distribution, metabolism, excretion (ADME) parameters of the compounds I were calculated, and it was observed that all of the compounds met the drug-likeness rules in general. Finally, using docking simulations, it was found that compounds I [X=Y = Cl; R’ = Ph, 2-naphthyl] and [X=Y = F; R’ = Ph, 2-naphthyl] showed high affinity to PDB ID:5TZ1, which is an CYP51 antifungal target structure.
20099-89-2, 4-(2-Bromoacetyl)benzonitrile, also known as 2-Bromo-4′ -cyanoacetophenone, is a useful research compound. Its molecular formula is C9H6BrNO and its molecular weight is 224.05 g/mol. The purity is usually 95%.
2-Bromo-4′ -cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
4-(2-Bromoacetyl)benzonitrile is useful for the irreversible inhibitory activity of Glycogen synthase kinase 3 (GSK-3). Phenylhalomethylketones can be used in the study of novel GSK-3 inhibitors., Related Products of 20099-89-2
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts