Mechanistic Insight into the Facilitation of β-Lactam Fragmentation through Metal Assistance
| Autor: | Miguel A. Esteruelas, Manuel A. Ortuño, Miguel A. Sierra, Jaime G. Muntaner, Luis Casarrubios, Agustí Lledós, Enrique Oñate, Carmen Larramona |
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| Přispěvatelé: | Ministerio de Economía y Competitividad (España), Diputación General de Aragón, European Commission |
| Rok vydání: | 2015 |
| Předmět: |
Organic Chemistry
Azetidinone chemistry.chemical_element Nanotechnology General Chemistry Catalysis Active participation Metal Density functional calculations chemistry.chemical_compound chemistry Fragmentation (mass spectrometry) Mechanism (philosophy) Computational chemistry visual_art visual_art.visual_art_medium Lactam Osmium Hexahydride Lone pair |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 0947-6539 |
| DOI: | 10.1002/chem.201503595 |
| Popis: | Communication.-- Titulo del pdf: Making Easier the β-Lactam Fragmentation via Metal-Assistance: Mechanistic Insight. The mechanism of OsH6(PiPr3)2-mediated fragmentation of a 4-(2 pyridyl)-2-azetidinone has been investigated by DFT calculations. The addition of the C4-H bond of the substrate to OsH2(PiPr3)2 allows the active participation of an osmium lone pair in the B-type b-lactam fragmentation process. This new mechanism makes the N1-C4/C2-C3 fragmentation of the lactamic core thermally accessible through a stepwise process. Financial support from the Spanish MINECO and FEDER (Projects CTQ2013-46459-C2-01-P, CTQ2014-52799-P, CTQ2014-54071-P, and CTQ2014-51912-REDC), the DGA (E35), and the European Social Fund (FSE) is acknowledged |
| Databáze: | OpenAIRE |
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