HETEROCYCLES, Vol. 65, No. 5, 2005
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General procedure for synthesis of 3-arylthio-1,4-naphthoquinones (7a-g)
A solution of 1,4-naphthoquinone (4) (158 mg, 1.0 mmol) and palladium(II) acetate (112 mg, 0.05 mmol)
in 20 mL of 95% ethanol was added to a solution of arylthiols (6) (1.1 mmol) in 10 mL of 95% ethanol
and then the mixture was stirred at rt for 4~6 h. After the reaction, the precipitate was
collected by the filtration. The crude product was purified by silica gel column chromatography with
EtOAc/n-hexane (1:2) or crystallized from 95% ethanol (Table 2).
2-(4-Methylphenylthio)-1,4-naphthoquinone (7a): Yellow powder (85%). mp 118℃ (lit.,5 mp
118-120℃). 1H-NMR (CDCl3) δ 8.12 (d, J=7.5 Hz, 1H, benzene), 7.99 (d, J=7.5 Hz, 1H, Ph-H), 7.70 (m,
1H, Ph-H), 7.38 (m, 2H, Ph-H), 7.26 (m, 2H, Ph-H), 6.09 (s, 1H, quinone), 2.48 (s, 3H, CH3). MS (m/z)
280 (M+). HRMS Calcd for C17H12O2S, 280.0558, Found: 280.0559.
2-(3-Chlorophenylthio)-1,4-naphthoquinone (7b): Yellow powder (55%). mp 155℃. 1H-NMR
(CDCl3) δ 8.11 (d, J= 7.7 Hz, 1H, benzene), 8.00 (d, J=7.7 Hz, 1H, benzene), 7.70 (m, 1H, Ph-H), 7.60 (m,
2H, Ph-H), 7.57 (m, 1H, Ph-H), 7.45 (t, J=7.7 Hz, 1H, benzene), 7.36 (m, 1H, Ph-H) ), 6.22 (s, 1H,
quinone). MS (m/z) 300 (M+). HRMS Calcd for C16H9O2ClS, 300.0012, Found: 300.0012.
1
2-Phenylthio-1,4-naphthoquinone (7c): Yellow powder (62%). mp 159℃ (lit.,5 mp 159℃). H-NMR
(CDCl3) δ 8.15 (m, 1H, Ph-H), 8.03 (m, 1H, Ph-H), 7.73 (m, 1H, Ph-H), 7.54 (m, 5H, Ph-H), 6.12 (s, 1H,
quinone). MS (m/z) 266 (M+). HRMS Calcd for C16H10O2S, 266.0401, Found: 266.0403.
2-(4-Chlorophenylthio)-1,4-naphthoquinone (7d): Yellow powder (65%). mp 149℃ (lit.,5 mp
149-50℃). 1H-NMR (CDCl3) δ 8.15 (d, J=7.3 Hz, 1H, Ph-H), 8.03 (d, J=7.3 Hz, 1H, Ph-H), 7.74 (m, 2H,
Ph-H), 7.46 (m, 4H, benzene), 6.08 (s, 1H, quinone). MS (m/z) 300 (M+). HRMS Calcd for C16H9O2ClS,
300.0012, Found: 300.0013.
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2-(3,5-Dimethylphenylthio)-1,4-naphthoquinone (7e): Yellow powder (74%). mp 115℃. H-NMR
(CDCl3) δ 8.11 (m, 1H, Ph-H), 8.00 (m, 1H, Ph-H), 7.70 (m, 1H, Ph-H), 7.12 (s, 1H, benzene), 7.10 (s,
2H, benzene), 6.13 (s, 1H, quinone), 2.78 (s, 6H, CH3). MS (m/z) 294 (M+). HRMS Calcd for C18H14O2S,
294.0715, Found: 294.0714.
2-(4-Fluorophenylthio)-1,4-naphthoquinone (7f): Yellow powder (65%). mp 121℃. 1H-NMR (CDCl3)
δ 8.11 (m, 1H, Ph-H), 8.02 (m, 1H, Ph-H), 7.71 (m, 1H, Ph-H), 7.51 (d, J=7.2Hz, 2H, Ph-H), 7.18 (d,
J=7.2Hz, 2H, Ph-H), 6.06 (s, 1H, quinone). MS (m/z) 284 (M+). HRMS Calcd for C16H9O2FS, 284.0307,
Found: 284.0308.
2-(3-Fluorophenylthio)-1,4-naphthoquinone (7g): Yellow powder (56%). mp 125℃. 1H-NMR (CDCl3)
δ 8.15 (m, 1H, Ph-H), 8.05 (m, 1H, Ph-H), 7.73 (m, 2H, Ph-H), 7.50 (m, 1H, Ph-H), 7.36 (m, 1H, Ph-H),
7.30 (m, 1H, Ph-H), 7.23 (m, 1H, benzene), 6.14 (s, 1H, quinone). MS (m/z) 284 (M+). HRMS Calcd for
C16H9O2FS, 284.0307, Found: 284.0306.