Chinese Journal of Magnetic Resonance ›› 1989, Vol. 6 ›› Issue (4): 423-430.

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13C-NMR STUDY OF SUBSTITUENT EFFECTS IN 3 (OR 4)-X-BENZENECARBOXIMIDATES

Wu Meiyu1, Yong Zhonggen1, Shi Yaozeng2, Jiang Weiping2, Lu Wanfang2, Hu Hongwen2   

  1. 1. Institute of Chemical Industry Research of Jiangsu, Nanjing;
    2. Departement of Chemistry, Nanjing University, Nanjing
  • Received:1988-08-26 Revised:1988-11-16 Published:1989-12-05 Online:2018-01-22

Abstract: The 13C-NMR spectra of three ethyl 3 (or 4)-x-benzenecarboximidates (1) and eight ethyl N-cyanomethyl-3 (or 4)-x-benzenecarboximidates (2) were determined. All 13C chemical shifts were assigned. The substituent chemical shifts (SCS) of -C-OCH2CH3=NCH2CN was obtained. Correlations of the 13C chemical shifts of aromatic carbons with the appropriate substituent chemical shifts (SCS) for monosubstituted benzenes show nonadditivity at C-2, 6 in compounds lb-g and 2b-e, at C-1 in compounds 1h-j and 2f-h. Dual subslituent parameter correlations of the 13C chemical shifts were also performed in this paper.

Key words: Imidate, Correlation analysis, Substituent chemical shift (SCS), Substituent constant:13C-NMR