Application of 1240948-77-9, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 1240948-77-9, Name is 5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile, SMILES is N#CC1=CNC(C2=CC=CC=C2F)=C1, belongs to pyrrolines compound. In a article, author is Huo, Rui-Ping, introduce new discover of the category.
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.
Application of 1240948-77-9, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 1240948-77-9 is helpful to your research.
Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem