新型1-烷基-3-苯甲酰基吡唑和1-烷基-3-苯甲酰基吡唑啉衍生物的1H、13C核磁共振、X射线及构象研究

1H, 13C NMR, X-ray and conformational studies of new 1-alkyl-3-benzoyl-pyrazole and 1-alkyl-3-benzoyl-pyrazoline derivatives.

作者信息

López-Cara Luisa C, Carrión M Dora, Camacho M Encarnación, Gallo Miguel A, Espinosa Antonio, Choquesillo-Lazarte Duane, Gonzalez-Pérez Josefa M, Entrena Guadix Antonio

机构信息

Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071 Granada, Spain.

出版信息

Magn Reson Chem. 2008 Sep;46(9):878-85. doi: 10.1002/mrc.2256.

DOI:10.1002/mrc.2256

PMID:18523976

Abstract

The (1)H and (13)C NMR resonances of 22 1-alkyl-pyrazole and 25 1-alkyl-pyrazoline derivatives were assigned completely using the concerted application of one- and two-dimensional experiments (DEPT, gs-HMQC and gs-HMBC). Nuclear Overhauser enhancement (NOE) effects, conformational analysis and X-ray crystallography confirm the preferred conformation of those compounds.

摘要

通过一维和二维实验（DEPT、gs-HMQC和gs-HMBC）的协同应用，完全归属了22种1-烷基吡唑和25种1-烷基吡唑啉衍生物的¹H和¹³C NMR共振信号。核Overhauser效应（NOE）、构象分析和X射线晶体学证实了这些化合物的优势构象。