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DFT Study on the Mechanism and Regioselectivity of Gold(I)-Catalyzed Synthesis of Highly Substituted Furans Based on 1-(1-Alkynyl)cyclopropyl Ketones with Nucleophiles

✍ Scribed by Fang, Ran; Su, Cheng-Yong; Zhao, Cunyuan; Phillips, David Lee

Book ID
121316763
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
392 KB
Volume
28
Category
Article
ISSN
0276-7333

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πŸ“œ SIMILAR VOLUMES

Gold(I)-Catalyzed Reaction of 1-(1-Alkyn
Gold(I)-Catalyzed Reaction of 1-(1-Alkynyl)cyclopropyl Ketones with Nucleophiles: A Modular Entry to Highly Substituted Furans.
✍ Junliang Zhang; Hans-Guenther Schmalz πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons βš– 35 KB

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On the mechanism of AuCl3-catalyzed synt
On the mechanism of AuCl3-catalyzed synthesis of highly substituted furans from 2-(1-alkynyl)-2-alken-1-ones with nucleophiles: A DFT study
✍ Lizi Yang; Ran Fang; Yongcheng Wang πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 540 KB

The mechanism of AuCl 3 -catalyzed synthesis of highly substituted furans from 2-(1-alkynyl)-2-alken-1-ones with nucleophiles have been investigated using density functional theory calculations done at the BHandHLYP/6-31G(d, p) (lanl2dz for Au) level of theory. Our calculations suggest that the firs