The Novel Activation Model of Multifunction Thiourea Organocatalysts

Author(s): Wei Kan, Yan Liu, Qi Gang Deng

Journal Name: Letters in Organic Chemistry

Volume 11 , Issue 10 , 2014

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Graphical Abstract:


The novel activation model of multifunction thiourea organocatalysts is examined using density functional theory calculations. The key feature of this model is that the two N-H of thiourea group play different roles in activating substrates, one N-H activates cyclohexenone, and the other N-H and tertiary amine of epiquinine activate the hydroxyl of diphenylphosphine oxide together. More importantly, there is a hydrogen bond between one hydrogen atom in primary amine of catalyst with phenyl ring of diphenylphosphine oxide via a NH-π interaction.

Keywords: Activation model, DFT, H-bonding activation, organocatalysts, theoretical calculations, thiourea.

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Article Details

Year: 2014
Published on: 17 November, 2014
Page: [755 - 758]
Pages: 4
DOI: 10.2174/157017861110141117145647
Price: $65

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