FT-IR study on solvent effects in building blocks of bioactive compounds. V

C. Conti; R. Galeazzi; E. Giorgini; G. Tosi

doi:10.1016/j.molstruc.2005.12.033

FT-IR study on solvent effects in building blocks of bioactive compounds. V

C. Conti, R. Galeazzi, E. Giorgini, G. Tosi

Istituto Nazionale di Riposo e Cura per Anziani V.E. II

Research output: Contribution to journal › Article › peer-review

Abstract

3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis-Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring.

Original language	English
Pages (from-to)	89-93
Number of pages	5
Journal	Journal of Molecular Structure
Volume	790
Issue number	1-3
DOIs	https://doi.org/10.1016/j.molstruc.2005.12.033
Publication status	Published - Jun 5 2006

Keywords

Conformational analysis
Hydrogen bonding
Infrared spectroscopy
Solvent effects

ASJC Scopus subject areas

Structural Biology
Organic Chemistry
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Materials Science (miscellaneous)

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abstract = "3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis-Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring.",

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AU - Conti, C.

AU - Galeazzi, R.

AU - Giorgini, E.

AU - Tosi, G.

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Y1 - 2006/6/5

N2 - 3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis-Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring.

AB - 3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis-Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring.

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KW - Hydrogen bonding

KW - Infrared spectroscopy

KW - Solvent effects

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