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Structure elucidation of [1,3]oxazolo[4,5‐ e ][2,1]benzisoxazole and naphtho[1,2‐ d ][1,3]‐ and phenanthro[9,10‐ d ]oxazoles using gradient selected gHMBC, gHMQC and gHMQC‐TOCSY NMR techniques by Alan R. Katritzky; Novruz G. Akhmedov; Zuoquan Wang; Vitaly A. Roznyatovsky; Aleksandr A. Shestopalov; C. Dennis Hall is a Chemistry article available to read on EtoBox.

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## Abstract Structure elucidation of compounds in the benzisoxazole series (**1**–**6**) and naphtho[1,2‐__d__][1,3]‐ (**7**–**10**) and phenanthro[9,10‐__d__][1,3]oxazole (**11**–**14**) series was accomplished using extensive 2D NMR spectroscopic studies including ^1^H–^1^H COSY, long‐ range ^1^H–^1^H COSY, ^1^H–^13^C COSY, gHMQC, gHMBC and gHMQC‐TOCSY experiments. The distinction between oxazole and isoxazole rings was made on the basis of the magnitude of heteronuclear one‐bond ^1^__J__~C2, H2~ (or ^1^__J__~C3, H3~) coupling constants. Complete analysis of the ^1^H NMR spectra of **11**–**14** was achieved by iterative calculations. Gradient selected gHMQC‐TOCSY spectra of phenanthro[9,10‐__d__][1,3]oxazoles **11**–**14** were obtained at different mixing times (12, 24, 36, 48 and 80 ms) to identify the spin system where the protons of phenanthrene ring at H‐5, H‐6 and at H‐9 and H‐7 and H‐8 were highly overlapping. Copyright © 2003 John Wiley & Sons, Ltd.

Who reads Structure elucidation of [1,3]oxazolo[4,5‐ e ][2,1]benzisoxazole and naphtho[1,2‐ d ][1,3]‐ and phenanthro[9,10‐ d ]oxazoles using gradient selected gHMBC, gHMQC and gHMQC‐TOCSY NMR techniques?

Author

Alan R. Katritzky; Novruz G. Akhmedov; Zuoquan Wang; Vitaly A. Roznyatovsky; Aleksandr A. Shestopalov; C. Dennis Hall

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; John Wiley and Sons Ltd; Wiley (ISSN 0749-1581)

Published

2003

Language

EN

Field

Chemistry (Physical Sciences)