Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Formula: C13H9N, 2920-38-9, Name is [1,1′-Biphenyl]-4-carbonitrile, molecular formula is C13H9N, belongs to nitriles-buliding-blocks compound. In a document, author is Huo, Rui-Ping, introduce the new discover.
A theoretical investigation of iron-catalyzed selective hydrogenation of nitriles to secondary imines
The mechanism of the transition metal iron complex [(iPr-PNP)Fe(H)Br(CO)] catalyzed reaction of selective hydrogenation of nitriles to secondary imines has been investigated with the M06-2X function. The results indicate that the reaction involves two basic processes: (i) A catalyzed p-bromobenzonitrile to benzaldimine and primary amine transformation; (ii) condensation of benzaldimine with a primary amine to afford secondary imine. The calculated barrier of transition metal-catalyzed condensation reaction of benzaldimine with a primary amine, 30.6 kcal/mol, indicates that the condensation reaction is feasible under experiment conditions. The theoretical results provide a deeper understanding of the mechanism and fully explain the experimental facts.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2920-38-9. Formula: C13H9N.