Dual substituent parameter and dual substituent parameter-non-linear resonances analysis have been successfully applied to model the long-range substituent effect on 13C substituent chemical shifts (SCS) in eight series of P-substituted styrenes, each carrying a nitrile group in the P-position. Different blends of polar and mesomeric effects at various sites were successfully accounted for.
From 6,7-dihydrobenzo [b]thiophen-4(5H) -one and its 2-methyl derivative as starting materials 5-formyl,5-acetyl, 5-carboxy, and 5-cyano-benzo[b]thiophene and 2-methytbenzo[b] thiophene, have been prepared in good to excellent yields. Benzo [b] thiophene-5-carbaldehyde o n base catalysed condensation with ethyl azidoacetate, followed b y thermal cyclisation of the resulting azidocinnamate provided a facile entry into the thieno[2,3-g] indole system.
A quantum chemical
investigation of the stability of compounds with identical formulas was carried
out on 23 classes of halogenated compounds made of H, F, Cl, Br, I, C, N, P, O
and S atoms. All possible structures were generated by combinatorial
approach and studied by statistical methods. The prevalence of formula in which
its <i>Z</i> configuration, <i>gauche</i> conformation and meta isomer are the
most stable forms is calculated and discussed. Quantitative and qualitative
models to explain the stability of the 23 classes of halogenated compounds were
also proposed.<br>
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