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Hydroformylation of styrene in the presence of rhodium-2,4,6-trialkylphenyl-phosphole in situ catalytic systems |
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| Authors: | Gyrgy Keglevich Tams Kgl Tungalag Chuluunbaatar Beta Dajka Pter Mtyus Balzs Balogh Lszl Kollr |
| Institution: | a Department of Organic Chemical Technology, Budapest University of Technology and Economics, H-1521, Budapest, Hungary b Research Group for Petrochemistry of the Hungarian Academy of Sciences, H-8201, Veszprém, P.O. Box 158, Hungary c Institute of Organic Chemistry, Semmelweis University, H-1092, Budapest, Hungary d Department of Inorganic Chemistry, University of Pécs, H-7624, Pécs, P.O. Box 266, Hungary e Research Group for Chemical Sensors of the Hungarian Academy of Sciences, H-7624, Pécs, Hungary |
| Abstract: | The hydroformylation of styrene was carried out in the presence of in situ rhodium catalysts containing 1-arylphospholes with different substituents in position 2 or 3. The aryl substituents were varied from phenyl to different sterically hindered 2,4,6-trialkylphenyls. The structures and Bird-indices (BIs) of the phospholes with different steric and electronic properties were determined by DFT calculations. High chemoselectivities towards hydroformylation, as well as regioselectivities towards the branched formyl regioisomer (2-phenyl-propanal) were obtained at a temperature of 40 °C. Similarly, high chemoselectivity was accompanied by a decreased regioselectivity at 100 °C. The phospholes with an exocyclic P-function in position 2 or 3 showed higher catalytic activity. |
| Keywords: | Arylphospholes Aromaticity Rhodium-complexes Hydroformylation DFT calculations |
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