Electric Literature of 126456-43-7, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.126456-43-7, Name is (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, molecular formula is C9H11NO. In a Article£¬once mentioned of 126456-43-7
Computational (MM, MD and MDMM) study of bidentate complexes of (R,R)- and meso-alpha,alpha?-bis(trifluoromethyl)-9,10-anthracenedimethanol with cis-1-amino-2-indanol
Results are reported from molecular mechanics (MM), molecular dynamics (MD) and a combined mode – MD with a subsequent MM minimization, of the complexes of the chiral solvating agent (CSA) alpha,alpha?-bis(trifluoromethyl)-9,10-anthracenedimethanol (1) in two of its diastereoisomeric forms ((R,R)- and meso-) with the substrates (1S,2R)- and (1R,2S)-cis-1-amino-2-indanol (2). Our computational work was stimulated by preceding NMR study of the enantio differentiation capacity of the CSA manifested in the formation of bidentate complexes with the substrates. The molecular modeling and simulation studies gave possible structures and relative stabilities of the associated species. MM minimizations were sufficient in order to find the lowest energy minima of meso-1/(1S,2R)-2 and (R,R)-1/(1S,2R)-2, while the lowest energy structure of (R,R)-1/(1R,2S)-2 was detected after the MD and MDMM studies. The complexes with the (R,R)-1 isomer have higher total energies than those with meso-1, in accord with an NMR estimate for longer lifetimes of the complexes with meso-1.
We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 126456-43-7, and how the biochemistry of the body works.Electric Literature of 126456-43-7
Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis