✦ LIBER ✦
2,4-Dichloro-3-(dimethylaminomethylene)-1,4-cyclohexadiene-1,5- dicarboxaldehyde: X-ray structure, mndo calculations, and rotational barriers of a stable non-aromatic tautomer of a penta-substituted benzene
✍ Scribed by Alan R. Katritzky; Charles H. Marson; Gus Palenik; Anna E. Koziol; Hudson Luce; Mati Karelson; Ban-Chi Chen; Wallace Brey
- Book ID
- 104203592
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- French
- Weight
- 665 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0040-4020
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✦ Synopsis
Analogues of the title compound have been prepared: minor alterations in the reactfan conditions give a benztnoid isomer 2b of the title compound. Reactions of the title compound were studied, and the structure-vss conffraed by X-ray crystallography. )rNDO calcul.ations give a geouetry in agreement vith that found, and indicate 99 energyldffference of 13 kcallaol in fhvour of the benzenoid isomer e. Temperature-dependent C-and H-NMR spectra afforded rotational barriers,