Chemistry of the phenoxathiins and isosterically related heterocycles. XVIII. The synthesis, 1H- and 13C-NMR Spectroscopy of benzo[b]-1,4,9-triazaphenoxathiin |
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Authors: | James C Turley Gary E Martin Ruth R Inners |
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Abstract: | The first synthesis of a triazaphenoxathiin system, benzob]-1,4,9-triazaphenoxathiin, is reported. Attempts directed toward the total assignment of the 13C-nmr spectrum of the title compound failed to produce an unequivocal assignment. The carbons of the benzo-portion of the molecule could not be unequivocally assigned at 25.2 MHz but were subgrouped into permutable pairs of resonances on the basis of relaxation times, a result of the antisotropic reorientation of the molecule. Further attempts to complete the 13C-nmr assignment at 100 MHz by selective on-resonance decouplings in the 400 MHz 1H-nmr spectrum were also unsuccessful because of similarities in the chemical shifts of the benzo-protons. Complete 1H-nmr chemical shifts and homo-nuclear spin-coupling constants were obtained using the PANIC program. |
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