原创力文档structure elucidation of a pyrazolo[3,4]pyran derivative by nmr spectroscopy结构说明pyrazolo[3,4]吡喃衍生物通过核磁共振光谱学.pdfVIP
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structure elucidation of a pyrazolo[3,4]pyran derivative by nmr spectroscopy结构说明pyrazolo[3,4]吡喃衍生物通过核磁共振光谱学
Molecules 2007, 12, 1117-1124
molecules
ISSN 1420-3049
© 2007 by MDPI
/molecules
Full Paper
Structure Elucidation of a Pyrazolo[3,4]pyran Derivative by
NMR Spectroscopy
Xuehui Liu and Yuxin Cui *
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences,
Peking University, Beijing 100083, P. R. China; E-mails: xhliu@ (for X. Liu)
* Author to whom correspondence should be addressed; E-mail: yxcui@
Received: 12 April 2007; in revised form: 13 May 2007 / Accepted: 14 May 2007 / Published: 24 May
2007
Abstract: 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.
Keywords: NMR; HMBC; nJCH; pyrazolo[3,4]pyran; proton-deficient compound.
Introduction
Recent advances in chemical biology have prompted a need for reliable methods and strategies for
combinatorial synthesis of abundant small molecule libraries, which can be used to elucidate the
function of proteins [1]. One attractive approach is the development of chemistry based on cascade
[2,3] or
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