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摘要:
N,N-diacyl-1,4-dihydropyrazine derivatives (1) were prepared via an efficient microwave-assisted synthesis. 1 was isolated and unambiguously confirmed by NMR spectra and high-resolution mass spectrometry. The NMR spectra of 1 showed complicated rather than conventional spectroscopy. Variable temperature experiments and DFT calculation (PES) were used to investigate this phenomenon. DFT calculations confirmed that the structures of the two rotamers of I correspond to those determined by NMR in solution, and gave the syn-anti interconversion barriers of rotamers. The results showed that two isomers exist in solution (deuterated solvent) at room temperature, resulting in complicated NMR spectra. (C) 2017 Elsevier B.V. All rights reserved.
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来源 :
JOURNAL OF MOLECULAR STRUCTURE
ISSN: 0022-2860
年份: 2017
卷: 1134
页码: 606-610
3 . 8 0 0
JCR@2022
ESI学科: CHEMISTRY;
ESI高被引阀值:127
中科院分区:4