A chemometric optimization of the Ru3(CO)12 catalysed deoxygenation of 2-nitrostilbene to 2-phenylindole was carried out. The effects of temperature, CO pressure, amounts of catalyst and substrate on conversion and selectivity were examined by factorial design/response surface methods. The conversion was found to increase on increasing the temperature and decreasing the CO pressure, it assumed a minimum value for medium amounts of catalyst and was almost independent of the amount of substrate. These results were also confirmed using a learning system and were used to develop a mechanism for the reaction. The data suggest two different mechanisms: one based on a Ru(CO)5 catalysed process and another one based on a Ru3(CO)12 catalysed process, which are first and zero order with respect to the substrate, respectively

Crotti, C., Cenini, S., Todeschini, R., Tollari, S. (1991). Chemometric optimization of the ruthenium carbonyl catalyzed cyclization of 2-nitrostilbene to 2-phenylindole. JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS, 87(17), 2811-2820 [10.1039/ft9918702811].

Chemometric optimization of the ruthenium carbonyl catalyzed cyclization of 2-nitrostilbene to 2-phenylindole

TODESCHINI, ROBERTO;
1991

Abstract

A chemometric optimization of the Ru3(CO)12 catalysed deoxygenation of 2-nitrostilbene to 2-phenylindole was carried out. The effects of temperature, CO pressure, amounts of catalyst and substrate on conversion and selectivity were examined by factorial design/response surface methods. The conversion was found to increase on increasing the temperature and decreasing the CO pressure, it assumed a minimum value for medium amounts of catalyst and was almost independent of the amount of substrate. These results were also confirmed using a learning system and were used to develop a mechanism for the reaction. The data suggest two different mechanisms: one based on a Ru(CO)5 catalysed process and another one based on a Ru3(CO)12 catalysed process, which are first and zero order with respect to the substrate, respectively
Articolo in rivista - Articolo scientifico
chemometrics;experimental design;ruthenium
English
1991
87
17
2811
2820
none
Crotti, C., Cenini, S., Todeschini, R., Tollari, S. (1991). Chemometric optimization of the ruthenium carbonyl catalyzed cyclization of 2-nitrostilbene to 2-phenylindole. JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS, 87(17), 2811-2820 [10.1039/ft9918702811].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/33129
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