Reduction Rate of 1-Phenylphospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT study and Kinetic Modeling Linked to Reagent Design Collection home page

This article is an accurate study of the phosphine oxide reductive chemistry in presence of different silanes with diverse electronic and steric properties. Computational insights gathered throughout the study have been used to hint at new silanes with improved reductive capabilities towards 1-Phenylphospholane 1-Oxide.

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-80

This dataset derived results are published in:

Manuscript title: Reduction Rate of 1-Phenylphospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT study and Kinetic Modeling Linked to Reagent Design

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.8b00860

View as
    • ROOT
      • 1-phenylphospholane_oxide_+_H2SiPh2_in_toluene
        • Dioxane_373K
        • Toluene_373K
      • 1-phenylphospholane_oxide_+_H3SiPh_in_toluene
      • 1-phenylphospholane_oxide_+_HSi(OCH3)3_in_toluene
      • 1-phenylphospholane_oxide_+_HSiPh3_in_toluene
      • 1-phenylphospholane_oxide_+_Theosilane_in_THF
      • Suggested_Synthesis_Theosilane
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