Article ID Journal Published Year Pages File Type
5285693 Tetrahedron Letters 2005 4 Pages PDF
Abstract
Ab initio and density functional investigations on the deoxygenation of cis-2,3-dimethylepoxide by PPh3 reveals a two-step mechanism. Simultaneous ring opening and C-C bond rotation results in oxaphosphetane formation, rules out a betaine intermediate and is consistent with the inversion of stereochemistry.
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Physical Sciences and Engineering Chemistry Organic Chemistry
Preview
Oxaphosphetane versus betaine formation in epoxide ring opening by PPh3: a mechanistic probe by ab initio and DFT modeling
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