Journal of the American Chemical Society · 2015 · 101 citations · 129 references
Natural SciencesChemistryCombinatorial ChemistryOrganic ChemistryOrganometallic ChemistryHeterocyclic ChemistryOrganic SynthesisRadical ReactionsReaction MechanismsRetrosynthetic AnalysisAromatic Ring ExpansionHydrogen Abstraction ReactionsRing-forming ReactionsThrough-bond EffectsTransformations
Chemoselective interaction of aromatic enynes with Bu3Sn radicals can be harnessed for selective cascade transformations, yielding either Sn-substituted naphthalenes or Sn-indenes. Depending on the substitution at the alkene terminus, the initial regioselective 5-exo-trig cyclizations can be intercepted at the 5-exo stage via either hydrogen atom abstraction or C-S bond scission or allowed to proceed further to the formal 6-endo products via homoallylic ring expansion. Aromatization of the latter occurs via β-C-C bond scission, which is facilitated by 2c,3e through-bond interactions, a new stereoelectronic effect in radical chemistry. The combination of formal 6-endo-trig cyclization with stereoelectronically optimized fragmentation allows the use of alkenes as synthetic equivalents of alkynes and opens a convenient route to α-Sn-substituted naphthalenes, a unique launching platform for the preparation of extended polyaromatics.
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Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density Functionals with Broad Applicability in Chemistry
Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research · 2008 · 7.1K citations
Natural Sciences, Chemistry, Physics +17