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Optimization of Xantphos-type ligands for highly linear-selective hydroformylation of allyl alcohol and alkenes
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DOI：10.1039/d6dt01054g.png)
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Abstract
En 中文
Xantphos-type ligands enabled the highly linear-selective hydroformylation of allyl alcohol and related alkenes under mild conditions with RhH(CO)(PPh3)(3). The product, 4-hydroxybutanal, is widely used as an industrial solvent and polymer precursor, and serves as an industrial intermediate in the production of 1,4-butanediol, gamma-butyrolactone, and N-methyl-2-pyrrolidone. Six ligands with different combinations of the Xantphos backbone and substituents on the benzene ring were compared. A 3,5-xylyl-substituted ligand displayed particularly high regioselectivity toward linear products. Density functional theory calculations clarified that this preference arises from a lower activation barrier for 1,2-insertion compared to 2,1-insertion.
Keywords:
RHODIUM-CATALYZED HYDROFORMYLATION
REGIOSELECTIVITY
KETONES
STEP
Journal
IF:
3.3
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3.3W
Citations:
7.5W
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Cited Papers