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dc.contributor Graduate Program in Chemistry.
dc.contributor.advisor Aviyente, Viktorya.
dc.contributor.author Agopcan, Sesil.
dc.date.accessioned 2023-03-16T11:01:42Z
dc.date.available 2023-03-16T11:01:42Z
dc.date.issued 2011.
dc.identifier.other CHEM 2011 A47
dc.identifier.uri http://digitalarchive.boun.edu.tr/handle/123456789/14482
dc.description.abstract In this study, the selectivities in two types of cycloaddition reactions, namely Diels- Alder and 1,3-dipolar cycloadditions are investigated. In the first part, the diastereoselectivity in the hydrogen bonding assisted Diels-Alder reactions have been investigated by using different chiral dienes with achiral dienophiles with density functional methods. C9-substituted chiral anthracene templates are used to find out the role of chiral substituents and H-bonding on the product distribution ratio. As a the second study in this part, the π-facial selectivity induced by the presence of a chiral auxiliary in 1,4-substituted butadienes has been considered in order to rationalize the role of the chiral substituent on the stereoselectivity. In the second part, the conjugate addition/intramolecular nitrone dipolar cycloaddition is investigated with the use of density functional theory. The 1,3-dipolar intramolecular cycloaddition reaction of nitrone is analyzed in details. The most stable and energetically favored mechanism is searched for the interconversion of 6,5,5-tricyclic products to the 6,6,5-tricyclic structure which is the core intermediate to synthesize histrionicotoxins.
dc.format.extent 30cm.
dc.publisher Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2011.
dc.subject.lcsh Ring formation (Chemistry)
dc.subject.lcsh Chemical reactions.
dc.title Modeling cycloaddition reactions
dc.format.pages xiv, 65 leaves ;


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