Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products, Name: (R)-Methyl 3-hydroxybutanoate, 3976-69-0, Name is (R)-Methyl 3-hydroxybutanoate, molecular formula is C5H10O3, belongs to chiral-catalyst compound. In a document, author is Qiao, Yan, introduce the new discover.
The N-Heterocyclic carbenes (NHC)-catalyzed annulations of C-60 with alpha,beta-unsaturated aldehydes represent as an attractive method for C-60 functionalization, but the detailed reaction mechanism and chemoselectivity- as well as regioselectivity-determining factors remain elusive. In this study, the reactions were investigated using DFT method, which show that the homoenolate intermediates can undergo [3 + 2]/[4 + 2] annulations with C-60 depending on the substituent groups on it. The homoenolate intermediate devoid of beta-methylene substituent group can react with C-60 forming a fullerenyl anion species, which then undergo tautomerization followed by intramolecular cyclization and catalyst elimination to afford the [3 + 2] cycloadducts. The tautomerization step was demonstrated to be rate-determining, and EtOH in combination with 1,4-benzoquinone (BQ) can lower the free energy barrier for this reaction step. In contrast, the homoenolate intermediates with beta-methylene substituent groups can preferentially undergo oxidation by 3,3′,5,5′-tetra-tert-butyldiphenoquinone (DQ) followed by deprotonation to generate the azolium dienolate, which can then react with C-60 through [4 + 2] rather than [3 + 2] annulations. For both the two kinds of annulations, [6,6]-regioselectivities can be successfully predicted by Parr function analyses on the first CC- bond formation intermediates. The computational results open a convenient door for prediction and rational design of NHC-catalyzed annulation reactions involving C-60 with special regioselectivities.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 3976-69-0. Name: (R)-Methyl 3-hydroxybutanoate.
Reference:
Chiral Catalysts,
,Chiral catalysts – SlideShare