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A Theoretical Study of the Mechanism of Phosphine-Catalyzed Hydroalkoxylation of Methyl Vinyl Ketone

✍ Scribed by Wang, Xin; Li, Shuhua; Jiang, Yuansheng


Book ID
126062187
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
304 KB
Volume
109
Category
Article
ISSN
1089-5639

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## Abstract A stepwise mechanism for the uncatalyzed Michael addition of acetylacetone (AcAc) to methyl vinyl ketone (MVK) has been studied by ab initio calculations at the MP2/6‐31+G (d, p)// B3LYP/6‐31+G (d, p) level of theory. This stepwise mechanism is initiated by a Diels–Alder‐type attack of