Structure elucidation of a pyrazolo[3,4]pyran derivative by NMR spectroscopy.
The structure of a representative pyrazolo[3,4]pyran derivative was determined by 1D and 2D NMR techniques. Complete 1H and 13C chemical shifts for this compound are reported. Careful analysis of the HMBC (Heteronuclear Multi-Bond Correlation) spectrum helped to elucidate the configuration of the derivative around C7 and C8. The results showed that the characteristic double-strong and double-weak cross peak pattern in the HMBC spectrum for C7 and C8 might be useful for establishing the structures of other pyrazolo[3,4]pyran derivatives.
Liu
Xuehui
X
State Key Laboratory of Nature and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, PR China. xhliu@mail.bjmu.edu.cn
Cui
Yuxin
Y
D002384:Catalysis; D003500:Cyclization; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D015394:Molecular Structure; D010165:Palladium / Q000737:chemistry; D011714:Pyrans / Q000737:chemistry*
D011714:Pyrans; D010165:Palladium