Publikace detail

On the Way from Understanding of Basic Principles to Rational Design of Reaction Conditions for Palladium Catalysed C–H Activation Reactions

Autoři: Váňa Jiří

Rok: 2018

Druh publikace: ostatní - přednáška nebo poster

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	On the Way from Understanding of Basic Principles to Rational Design of Reaction Conditions for Palladium Catalysed C–H Activation Reactions	Knowledge of the exact structures of reactants, catalytic species and reaction intermediates has a crucial importance for understanding chemical reactions. However, identification of key species as well as their function in complex reaction mixtures could be very arduous. In recent work we are trying to explore in detail influence of carboxylic acids added to the palladium(II) acetate in C–H activation and functionalization reactions. The obtained findings could be used for rational design of reaction conditions. Addition of carboxylic acids to the mixture of palladium acetate and substrate causes several effects; formation of precatalyst by substitution of acetates for carboxylates1,2 that changes the reactivity of palladium; protonation of substrate that makes it more or less available for C–H activation; finally, presence of stronger or weaker bases significantly changes the reaction profile of C–H activation.3 All these effects are explored experimentally as well as by theoretical calculations. Our results open way to more rational optimisation of reaction conditions, milder reaction conditions and tuning the reactivity of substrates containing different directing groups.	C-H activation; palladium acetate, carboxylic acids

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