(1E,3E)-1,4-Dinitro-1,3-butadiene—Synthesis, Spectral Characteristics and Computational Study Based on MEDT, ADME and PASS Simulation
Mikołaj Sadowski,
Beata Synkiewicz-Musialska,
Karolina Kula
Abstract:The chemistry of conjugated nitrodienes is becoming increasingly popular. These molecules are successfully applied in cycloaddition to synthesize six-membered rings in Diels-Alder reactions. Nitrodienes can be also applied to obtain bis-compounds in [3+2] cycloaddition. Moreover, the presence of a nitro group in the structure provides a possibility of further modification of the products. The simplest symmetrical representative of conjugated nitrodienes is (1E,3E)-1,4-dinitro-1,3-butadiene. Although the first … Show more
“…TMS was used as the internal standard. The presented experimental procedure is a standard approach, common used in during laboratory research [10].…”
The possibility of the preparation of free 1,1-dinitroethene was
examined experimentally on the basis of procedures described
earlier for other examples of 1-R-1-nitroethenes. It was found, that
these types of protocols are non-usable for the preparation of the
title compound due to its high reactivity and tendency to
decomposition and oligomerization.
“…TMS was used as the internal standard. The presented experimental procedure is a standard approach, common used in during laboratory research [10].…”
The possibility of the preparation of free 1,1-dinitroethene was
examined experimentally on the basis of procedures described
earlier for other examples of 1-R-1-nitroethenes. It was found, that
these types of protocols are non-usable for the preparation of the
title compound due to its high reactivity and tendency to
decomposition and oligomerization.
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