One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 112-02-7, Name is N,N,N-Trimethylhexadecan-1-aminium chloride, formurla is C19H42ClN. In a document, author is Huckmann, Lukas, introducing its new discovery. Safety of N,N,N-Trimethylhexadecan-1-aminium chloride.
Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory
Amines are a ubiquitous class of compounds found in a variety of functional organic building blocks. Within the past years, hydrogen autotransfer catalysis has evolved as a new concept for the synthesis of amines. A through understanding of the mechanism of these reactions is necessary to design optimal catalysts. We investigate secondary amine formation catalyzed by a NNNN(P)Ru-complex and provide understanding on the three reaction steps involved. We find that the ligand has to open one coordination site in order to allow the formation of a metal hydride intermediate. In a second step, a condensation reaction, which could also happen uncatalyzed in solution, is significantly enhanced by the presence of the ruthenium complex. The back-transfer of the hydride to the substrate in a third step regenerates the catalyst.
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Reference:
Metal catalyst and ligand design,
,Ligand Template Strategies for Catalyst Encapsulation – NCBI