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Author:

Song, Xiu-qing (Song, Xiu-qing.) | Tan, Hong-bo (Tan, Hong-bo.) | Yan, Hong (Yan, Hong.) (Scholars:闫红) | Chang, Yu (Chang, Yu.) (Scholars:常宇)

Indexed by:

EI Scopus SCIE

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:

Conformational isomerism Microwave-assisted synthesis Variable-temperature NMR 1,4-Dihydropyrazine Density-functional theory (DFT)

Author Community:

  • [ 1 ] [Song, Xiu-qing]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 2 ] [Tan, Hong-bo]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 3 ] [Yan, Hong]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 4 ] [Chang, Yu]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China

Reprint Author's Address:

  • 闫红

    [Yan, Hong]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China

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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

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