Condensed phase conformational isomerisation of 5-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propoxy]-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester

被引：7
|
作者：
Tewari, Ashish K. [1 ]
Srivastava, Priyanka [1 ]
Singh, Ved P. [1 ]
Puerta, Carmen [2 ]
Valerga, Pedro [2 ]
机构：
[1] Banaras Hindu Univ, Fac Sci, Dept Chem, Varanasi 221005, Uttar Pradesh, India
[2] Fac Ciencias, Dept Ciencia Mat & Ingn Met, Puerto Real 11510, Spain
来源：
ARKIVOC | 2010年
关键词：
Conformation; isomers; interactions; equilibrium; NMR; X-ray crystallography; NUCLEAR-MAGNETIC-RESONANCE; HYDROGEN-BOND; X-RAY; C-H; SUBSTITUENT; ACETOPHENONES; DERIVATIVES; BENZENES; SPECTRA;
D O I：
10.3998/ark.5550190.0011.911
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Presence of ester group adjacent to methyl group in a pyrazole ring system results in a flexible hydrogen bond. This bond can be freely rotate to generate the conformational isomers. Conformational isomers can be separated if the barrier to rotation or the energy difference between the two configurations is large. In the present study, in solution state, this spinning is so fast that it was difficult to predict the conformational change whereas the condensation of molecules in solid state, existence of two conformations have been predicted.
引用
收藏
页码：127 / 136
页数：10
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