Larionov, Evgeny published the artcileScope and mechanism of asymmetric C(sp3)-H/C(Ar)-X coupling reactions: computational and experimental study, Recommanded Product: 2-Bromopyridin-3-amine, the publication is Chemical Science (2013), 4(5), 1995-2005, database is CAplus.
Advances in the efficient palladium-NHC catalyzed synthesis of highly enantioenriched 2,3-trans-fused and 2-alkyl indolines by an asym. C(sp3)-H activation of an unactivated methylene/methyl group are reported. Very high asym. inductions (up to 99% ee) were achieved at reaction temperatures ranging from 120-160°. Factors influencing the efficiency of the reaction (halide, pseudohalide, N-protecting group) were investigated. The reaction pathway and enantioselection were probed by detailed d. functional theory (DFT) calculations (M06-L functional). The combined theor. and exptl. study shows that the Pd-NHC catalyzed C(sp3)-H arylation proceeds via a concerted metalation-deprotonation (CMD) mechanism. The CMD step is shown by DFT calculations and kinetic isotope effect measurements to be selectivity-determining A good agreement between exptl. enantioselectivities and calculated differences amongst diastereomeric activation barriers is observed
Chemical Science published new progress about 39856-58-1. 39856-58-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Bromide,Amine, name is 2-Bromopyridin-3-amine, and the molecular formula is C5H5BrN2, Recommanded Product: 2-Bromopyridin-3-amine.
Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem