Ranitidine Dynamic Nuclear Magnetic Resonance

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Ghorayshi, Masoume | 2012

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 43821 (03)
University: Sharif University of Technology
Department: Chemistry
Advisor(s): Tafazzoli, Mohsen
Abstract:
In this work we have studied conformation of ranitidine by dynamic nuclear magnetic resonance spectroscopy (DNMR) in four different solvents: chloroform, acetone, dimethylsulfoxide, and deuteriumoxide. Ranitidine has three tatumeric forms of enamine, nitoic acid, and imine, but its stable structure is enamine. Temperature dependent 1HNMR spectra of ranitidine which reportet at 500MHz were consistent with the following free activation of energies ΔG# (kcal mol-1): chloroform = 16.2; acetone = 15.4; dimethylsulfoxide = 15.1. The experimental results were confirmed by DFT theoretical calculations at the B3LYP/6-311++G (d, p) level of theory. It was also proved that ranitidine has the form of imine in deuteriumoxide, while in the three other solvents, acetone, chloroform, and dimethylsulfoxide, has the enamine form
Keywords:
Dynamic Nuclear Magnetic Resonance ; Density Functional Theory (DFT) ; Ranitidine

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