Computed Properties of C13H8CuF3N2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (1,10-Phenanthroline)(trifluoromethyl)copper(I), is researched, Molecular C13H8CuF3N2, CAS is 1300746-79-5, about Iridium-catalyzed silylation of five-membered heteroarenes: high sterically derived selectivity from a pyridyl-imidazoline ligand. Author is Karmel, Caleb; Rubel, Camille Z.; Kharitonova, Elena V.; Hartwig, John F..
The steric effects of substituents on five-membered rings are less pronounced than those on six-membered rings because of the difference in bond angles. Thus, the regioselectivities of reactions that occur with selectivities dictated by steric effects, such as the borylation of C-H bonds, have been poor in many cases. We report that the silylation of five-membered ring heteroarenes occurs with high sterically derived regioselectivity when catalyzed by the combination of [Ir(cod)(OMe)]2 and a phenanthroline ligand or a new pyridylimidazoline ligand that further increases the regioselectivity. The silylation reactions with these catalysts produce high yields of heteroarylsilanes from functionalization at the most sterically accessible C-H bonds of these rings under conditions that the borylation of C-H bonds with previously reported catalysts formed mixtures of products or products that are unstable. The heteroarylsilane products undergo cross-coupling reactions and substitution reactions with ipso selectivity to generate heteroarenes that bear halogen, aryl and perfluoroalkyl substituents.
There is still a lot of research devoted to this compound(SMILES：F[C-](F)([Cu+]1[N]2=C3C4=[N]1C=CC=C4C=CC3=CC=C2)F)Computed Properties of C13H8CuF3N2, and with the development of science, more effects of this compound(1300746-79-5) can be discovered.
Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics