2011 |
Dobado, J A; Gomez-Tamayo, J C; Calvo-Flores, F G; Martinez-Garcia, H; Cardona, W; Weiss-Lopez, B; Ramirez-Rodriguez, O; Pessoa-Mahana, H; Araya-Maturana, R Nmr Assignment in Regioisomeric Hydroquinones Artículo de revista Magnetic Resonance in Chemistry, 49 (6), pp. 358-365, 2011, ISSN: 0749-1581. Resumen | Enlaces | BibTeX | Etiquetas: basis-sets, c-13 calculations, chemical-shifts, coupling-constants, derivatives, dft, diels-alder giao, h, h-1 hmbc, hmqc, hydroquinone, nmr, o3lyp, organic-molecules, reaction, respiration, sensitivity, spin theoretical tumor-cell @article{RN34e, title = {Nmr Assignment in Regioisomeric Hydroquinones}, author = { J.A. Dobado and J.C. Gomez-Tamayo and F.G. Calvo-Flores and H. Martinez-Garcia and W. Cardona and B. Weiss-Lopez and O. Ramirez-Rodriguez and H. Pessoa-Mahana and R. Araya-Maturana}, url = {/brokenurl#<Go to ISI>://WOS:000291114500009}, doi = {10.1002/mrc.2745}, issn = {0749-1581}, year = {2011}, date = {2011-01-01}, journal = {Magnetic Resonance in Chemistry}, volume = {49}, number = {6}, pages = {358-365}, publisher = {2011 John Wiley & Sons, Ltd.}, abstract = {A set of regioisomeric pairs of tricyclic hydroquinones, analogues of antitumor 9,10-dihydroxy-4,4-dimethyl-5,8dihydroanthracen- 1(4H)-one (1) and other derivatives, were synthesized and their regiochemistry and NMR spectra assigned by using 1H-detected one-bond(C-H) HMQC and long-range C-HHMBC, in good agreement with theoretical O3LYP/Alhrichs-pVTZ calculations. The 5-hydroxymethyl derivatives (11, 15, 19) showed a 3 integral H,H coupling constant of methylene protons evidencing the presence of a seven-membered intramolecular hydrogen bonded ring, not observed for the 8-hydroxymethyl isomers.}, keywords = {basis-sets, c-13 calculations, chemical-shifts, coupling-constants, derivatives, dft, diels-alder giao, h, h-1 hmbc, hmqc, hydroquinone, nmr, o3lyp, organic-molecules, reaction, respiration, sensitivity, spin theoretical tumor-cell}, pubstate = {published}, tppubtype = {article} } A set of regioisomeric pairs of tricyclic hydroquinones, analogues of antitumor 9,10-dihydroxy-4,4-dimethyl-5,8dihydroanthracen- 1(4H)-one (1) and other derivatives, were synthesized and their regiochemistry and NMR spectra assigned by using 1H-detected one-bond(C-H) HMQC and long-range C-HHMBC, in good agreement with theoretical O3LYP/Alhrichs-pVTZ calculations. The 5-hydroxymethyl derivatives (11, 15, 19) showed a 3 integral H,H coupling constant of methylene protons evidencing the presence of a seven-membered intramolecular hydrogen bonded ring, not observed for the 8-hydroxymethyl isomers. |
2011 |
Nmr Assignment in Regioisomeric Hydroquinones Artículo de revista Magnetic Resonance in Chemistry, 49 (6), pp. 358-365, 2011, ISSN: 0749-1581. |