期刊
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
卷 2009, 期 6, 页码 898-903出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejoc.200801029
关键词
Nickel; Aluminum; P ligands; Asymmetric catalysis; Alkylation; Density functional calculations
资金
- European Union [FP6-NMP3-C-2003-505267]
- GlaxoSmithKline
- Fundacao do Ministerio de Ciencia e Tecnologia (FCT), Programa Operacional Ciencia e Inovacao (POCI)
- Fundo Europeu de Desenvolvimento Regional [POCI/QUI/58925/2004]
- Engineering and Physical Sciences Research Council [EP/F033478/1, EP/G026882/1] Funding Source: researchfish
- Fundação para a Ciência e a Tecnologia [POCI/QUI/58925/2004] Funding Source: FCT
- EPSRC [EP/F033478/1, EP/G026882/1] Funding Source: UKRI
Enantioselective Ni-catalysed methylation of Baylis-Hillman-derived allylic electrophiles in the presence of ferrophite ligands has been investigated computationally and experimentally. The sense and degree of enantioselectivity attained is independent of both the leaving group and the isomeric structure of the initial allylic halide. DFT studies support the selective formation of a limited number of energetically favoured anti and syn pi-allyl. intermediates. The observed regio- and enantioselectivity can be rationalised based on the energetics of these structures. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
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