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          Institute: MPI für bioanorganische Chemie     Collection: MPI für bioanorganische Chemie     Display Documents



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ID: 700616.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
Synthetic and Computational Evaluation of Regiodivergent Epoxide Opening for Diol and Polyol Synthesis
Authors:Gansäuer, Andreas; Karbaum, Peter; Schmauch, David; Einig, Martin; Shi, Lili; Anoop, Anakuthil; Neese, Frank
Language:English
Date of Publication (YYYY-MM-DD):2014
Title of Journal:Chemistry-an Asian Journal
Journal Abbrev.:Chem.Asian J.
Volume:9
Issue / Number:8 Sp. Iss. SI
Start Page:2289
End Page:2294
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:In a combined synthetic and computational study, the factors governing the selectivity of the titanocene(III)-catalyzed regiodivergent epoxide opening (REO) with Kagan's complex via electron transfer leading to derivatives of 1,2-, 1,3-, and 1,4-diols were investigated. In this manner, valuable building blocks for the synthesis of 1,3- and 1,4-diols were identified. The computational study provides crucial structural features and energies of the transition states of ring opening that are important for the design of more selective catalysts.
Comment of the Author/Creator:Date: 2014, AUG 2014
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
External Affiliations:[Gansäuer, A.; Karbaum,P.; Schmauch,D.; Einig,M.] Univsity Bonn, Kekule Inst.Organische Chemisty & Biochemistry, D-53121 Bonn, Germany.
Identifiers:ISI:000342675900042 [ID No:1]
ISSN:1861-4728 [ID No:2]
DOI:10.1002/asia.201402159
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