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Molecules 2004, 9
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found: 45.03% C, 4.18% H, 23.57% N. H-NMR: δ 1.14 (t, 3H, CH3), 2.41 (q, 2H, CH2), 7.27-7.29
(m, 1H, Ar-H), 7.97-7.99 (m, 2H, Ar-H), 11.47 (s, 1H, NH); 11.79 (s, 1H, NH); 13C-NMR: δ 10.11,
18.34 (aliphatic carbons), 128.79, 130.76, 133.47, 135.40 (aromatic carbons), 149.26 (triazole C3),
153.19 (triazole C5), 161.05 (C=O); IR: 3500, 3175 (NH), 1720, 1675 (C=O), 1600 (C=N) cm-1; UV
λmax nm, (ε, L·mol-1·cm-1): 250 (22220), 207 (16500) nm.
3-Benzyl-4-(2-thienylcarbonylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (4c). Yield 86%; m.p. 220-
222 °C (EtOH-H2O, 1:3); Calculated for C14H12N4O2S (300.33): 55.99% C, 4.03% H, 18.65% N;
found: 55.73% C, 3.73% H, 18.38% N. 1H-NMR: δ 3.82 (s, 2H, CH2), 7.26 (s, 6H, Ar-H), 7.95 (s, 2H,
Ar-H), 11.46 (s, 1H, NH); 11.94 (s, 1H, NH); 13C-NMR: δ 31.10 (aliphatic carbon), 127.18, 128.76
(3C), 129.08 (2C), 131.10, 133.90, 135.40, 135.90 (aromatic carbons), 147.90 (triazole C3), 153.40
(triazole C5), 161.20 (C=O); IR: 3250, 3100 (NH), 1725, 1660 (C=O), 1600 (C=N), 770, 705
(monosubstituted benzenoid ring) cm-1; UV λmax nm, (ε, L·mol-1·cm-1): 251 (22220), 210 (30440) nm.
3-(4-Methylbenzyl)-4-(2-thienylcarbonylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (4d). Yield 77%;
m.p. 167-168 °C (EtOH-H2O, 1:3); Calculated for C15H14N4O2S (314.36): 57.31% C, 4.48% H,
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17.82% N; found: 57.10% C, 4.27% H, 17.93% N. H-NMR: δ 2.27 (s, 3H, CH3), 3.95 (s, 2H, CH2),
7.11-7.27 (m, 5H, Ar-H), 7.95-8.00 (m, 2H, Ar-H), 11.43 (s, 1H, NH); 11.89 (s, 1H, NH); IR: 3250,
3120 (NH), 1760, 1670 (C=O), 1615 (C=N), 790 (1,4-disubstituted benzenoid ring) cm-1; UV λmax
nm, (ε, L·mol-1·cm-1): 269 (23580), 211 (24660) nm.
3-(4-Chlorobenzyl)-4-(2-thienylcarbonylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (4e). Yield 90%;
m.p. 190-191 °C (EtOH-H2O, 1:3); Calculated for C14H11N4O2SCl (334.78): 50.23% C, 3.31% H,
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16.74% N; found: 50.55% C, 2.99% H, 16.50% N. H-NMR: δ 3.82 (s, 2H, CH2), 7.24-7.37 (m, 5H,
Ar-H), 7.93-7.97 (m, 2H, Ar-H), 11.41 (s, 1H, NH); 11.93 (s, 1H, NH); 13C-NMR: δ 29.00 (aliphatic
carbon), 127.25 (3C), 129.39, 129.57 (2C), 130.90, 131.99, 132.63, 134.30 (aromatic carbons), 145.90
(triazole C3), 152.90 (triazole C5), 159.80 (C=O); IR: 3220, 3100 (NH), 1730, 1665 (C=O), 1595
(C=N), 805 (1,4-disubstituted benzenoid ring) cm-1; UV λmax nm, (ε, L·mol-1·cm-1): 251 (15100), 222
(24400) nm.
3-Phenyl-4-(2-thienylcarbonylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one (4f). Yield 85%; m.p. 160-
161 °C (EtOH-H2O, 1:3); Calculated for C13H10N4O2S (286.31): 55.54% C, 3.52% H, 19.57% N;
found: 55.16% C, 3.52% H, 19.43% N. 1H-NMR: δ 7.29-8.05 (m, 8H, Ar-H), 11.85 (s, 1H, NH); 12.46
(s, 1H, NH); 13C-NMR: δ 126.10, 126.98 (2C), 127.10, 129.25 (2C), 130.90 (2C), 133.80, 135.50
(aromatic carbons), 146.20 (triazole C3), 153.70 (triazole C5), 161.10 (C=O); IR: 3250 (NH), 1730,
1675 (C=O), 1610 (C=N), 770, 700 (monosubstituted benzenoid ring) cm-1; UV λmax nm, (ε, L·mol-
1·cm-1): 253 (25710), 210 (16990) nm.