Gold(I)-catalyzed intermolecular hydroalkoxylation of allenes: a DFT study.

Gold(I)-catalyzed intermolecular hydroalkoxylation of allenes: a DFT study.

The mechanistic and regiochemical aspects in the Au(I)-catalyzed intermolecular hydroalkoxylation of allenes have been studied computationally. The most favorable pathway is nucleophilic attack of an Au(I)-coordinated allene, which occurs irreversibly. An Au(I)-catalyzed mechanism is proposed that a...

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Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Paton, R, Maseras, F
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 2009
Cur síos
Achoimre:The mechanistic and regiochemical aspects in the Au(I)-catalyzed intermolecular hydroalkoxylation of allenes have been studied computationally. The most favorable pathway is nucleophilic attack of an Au(I)-coordinated allene, which occurs irreversibly. An Au(I)-catalyzed mechanism is proposed that allows the facile interconversion of regioisomeric allylic ether products. The regioisomers are connected via a stabilized diether intermediate with a C-Au sigma-bond, which successfully explains the observed regioselectivity for the thermodynamic product.

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