Event Title
Theoretical and Spectral Studies of the Tautomeric Equlibria of Pyridazinol
Faculty Mentor
Koushik Banerjee
Keywords
Koushik Banerjee
Abstract
Pyridazinol- pyridazinone and their respective derivatives are recently being studied for their pharmaceutical and agricultural advancements. Computational studies were undertaken, using HyperChem software, on pyridazinol-pyridazinone ether in order to distinguish between the lowest energy tautomer of a multistep synthesis. The tautomer that is the lowest in energy will be the most stable and occur most naturally in high abundance as the product of the multistep synthesis. From the data collected tautomer 1 was found to be the most stable in the gas phase.
Session Name:
Poster Presentation Session #2 - Poster #28
Start Date
4-4-2014 12:15 PM
End Date
4-4-2014 1:00 PM
Location
HSB 3rd Floor Student Commons
Theoretical and Spectral Studies of the Tautomeric Equlibria of Pyridazinol
HSB 3rd Floor Student Commons
Pyridazinol- pyridazinone and their respective derivatives are recently being studied for their pharmaceutical and agricultural advancements. Computational studies were undertaken, using HyperChem software, on pyridazinol-pyridazinone ether in order to distinguish between the lowest energy tautomer of a multistep synthesis. The tautomer that is the lowest in energy will be the most stable and occur most naturally in high abundance as the product of the multistep synthesis. From the data collected tautomer 1 was found to be the most stable in the gas phase.