Molecules 2008, 13
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theoretical values. Chemicals were purchased from Panreac Química S.A. (Barcelona, Spain), Sigma-
Aldrich Química, S.A. (Alcobendas, Spain), Acros Organics (Janssen Pharmaceuticalaan, Geel,
Belgium) and Lancaster (Bischheim-Strasbourg, France).
General procedure for the reduction of ethyl 3-phenylquinoxaline-2-carboxylate 1,4-di-N-oxide (1)
Ethyl 3-phenylquinoxaline-2-carboxylate 1,4-di-N-oxide (1, 1 mmol) was added to ethanol (10
mL) and the amine derivative (1 mmol). The mixture was refluxed for two hours, then the reactions
were worked-up by adding CH2Cl2 (50 mL), followed by extraction with 10% aqueous HCl (4 x 15
mL). The organic layer was dried (Na2SO4), filtered, and evaporated to dryness. The yields were
1
determined by H-NMR analysis of the total crude product mixture. The residue was later purified by
silica gel column chromatography (n-hexane-ethyl acetate).
1
Ethyl 3-phenylquinoxaline-2-carboxylate 1,4-di-N-oxide (1). H-NMR: δ 1.08 (t, J= 7.2 Hz, 3H,
OCH2CH3); 4.25 (t, J= 7.2 Hz, 2H, OCH2CH3); 7.53 (m, 3H, H3’-H5’); 7.61 (m, 2H, H2’ and H6’);
13
7.91 (m, 2H, H6 and H7); 8.65 (m, 2H, H5 and H8) ppm; C-NMR: δ 13.98 (OCH2CH3), 63.65
(OCH2CH3), 120.89 (C5), 121.08 (C8), 127.84 (C1’), 129.16 (C3’ and C5’), 130.15 (C2’ and C6’),
131.26 (C4’), 132.51 (C6), 132.53 (C7), 136.53 (C2), 137.73 (C10), 138.81 (C3), 140.08 (C9), 159.66
(CO2Et) ppm; IR: 2978 (ArC-H), 1746 (C=O), 1352 (N-oxide), 701 and 666 (monosubstituted phenyl)
cm-1; MS: 310 (m/z, 100%), 294 (M+, 6%), 249 (M+, 51%), 221 (M+, 46%), 77 (M+, 46%); Anal.
calcd. for C17H14N2O4: C, 65.80; H, 4.52; N, 9.03. Found: C, 65.65; H, 4.57; N, 8.98.
1
Ethyl 3-phenylquinoxaline-2-carboxylate 4-N-oxide (1a). H-NMR: δ 1.04 (t, J=7.2 Hz; 3H,
OCH2CH3); 4.20 (q, J=7.2 Hz; 2H, OCH2CH3); 7.56 (m, 3H, H3’-H5’); 7.61 (m, 2H, H2’and H6’);
7.88 (m, 2H, H6 and H7); 8.26 (dd, J= 1.2, 8.2 Hz; 1H, H5); 8.65 (dd, J= 1.2, 7.6 Hz; 1H, H8); IR:
2981 (ArC-H), 1742 (C=O), 1359 (N-oxide), 701 and 666 (monosubstituted phenyl) cm-1; MS: 294
(m/z, 65%), 265 (M+, 13%), 249 (M+, 26%), 221 (M+, 100%), 77 (M+, 18%); Anal. calcd. for
C17H14N2O3: C, 69.38; H, 4.79; N, 9.52. Found: C, 69.37; H, 4.77; N, 9.51.
1
Ethyl 3-phenylquinoxaline-2-carboxylate 1-N-oxide (1b). H-NMR: δ 1.25 (t, J=7.2 Hz; 3H,
OCH2CH3); 4.42 (q, J=7.2 Hz; 2H, OCH2CH3); 7.54 (m, 3H, H3’-H5’); 7.80 (m, 3H, H2’and H6’ and
H7); 7.89 (dt, J= 8.4, 7.6 Hz; 1H, H6); 8.20 (d, J= 8.4 Hz; 1H, H5); 8.61 (d, J= 8.0 Hz; 1H, H8); IR
(KBr): 2979 (ArC-H), 1735 (C=O), 1363 (N-oxide), 701 and 671 (monosubstituted phenyl) cm-1; MS:
294 (m/z, 60%), 265 (M+, 9%), 249 (M+, 31%), 221 (M+, 100%), 77 (M+, 26%); Anal. calcd. for
C17H14N2O3: C, 69.38; H, 4.79; N, 9.52. Found: C, 69.39; H, 4.80; N, 9.51.
Ethyl 3-phenylquinoxaline-2-carboxylate (1c). 1H-NMR: δ 1.19 (t, J=7.2 Hz; 3H, OCH2CH3); 4.34 (q,
J=7.2 Hz; 2H, OCH2CH3); 7.53 (m, 3H, H3’-H5’); 7.76 (m, 2H, H2’and H6’); 7.85 (m, 2H, H6 and
H7); 8.20 (d, J= 8.0 Hz; 1H, H5); 8.24 (d, J= 7.6 Hz; 1H, H8); IR: 2990 (ArC-H), 1730 (C=O), 711
and 669 (monosubstituted phenyl) cm-1; MS: 278 (m/z, 33%), 249 (M+, 26%), 234 (M+, 15%), 206
(M+, 100%), 77 (M+, 33%); Anal. calcd. for C17H14N2O2: C, 73.37; H, 5.07; N, 10.07. Found: C, 73.35;
H, 5.08; N, 10.05.