2-Aminopyrrole and simple 1-substituted 2-aminopyrroles: preparation and ab initio study on the effect of solvent on the amino–imino tautomeric equilibrium †
- 1 January 1999
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 7,p. 1433-1438
- https://doi.org/10.1039/a900762h
Abstract
This work describes the preparation and NMR characterization of 2-aminopyrrole and simple 1-substituted-2-aminopyrroles without further substitution on the ring. The question of the effect of solvent on tautomerism in 2-aminopyrroles has been studied by using ab initio quantum mechanical methods. Theoretical calculations indicated that 2-aminopyrrole is the most stable form in chloroform and in water. Experimentally this is what was observed. Calculations indicated that in the case of the 1-methyl-2-aminopyrrole both amino and imino tautomers should be observable in water.Keywords
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