Indexed by:
Abstract:
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.
Keyword:
Reprint Author's Address:
Email:
Source :
JOURNAL OF MOLECULAR STRUCTURE
ISSN: 0022-2860
Year: 2017
Volume: 1134
Page: 606-610
3 . 8 0 0
JCR@2022
ESI Discipline: CHEMISTRY;
ESI HC Threshold:212
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 2
SCOPUS Cited Count: 1
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 1
Affiliated Colleges: