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CAS No. : | 1118-66-7 | MDL No. : | MFCD00043715 |
Formula : | C5H9NO | Boiling Point : | - |
Linear Structure Formula : | CH3C(NH2)CHCOCH3 | InChI Key : | - |
M.W : | 99.13 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | In ethanol; | EXAMPLE 17 3-acetyl-4-(3-bromo-4-fluorophenyl)-2-methyl-4,6,7,8-tetrahydro[1,6]naphthyridin-5(1H)-one The product from Example 1C (0.610 g, 5.40 mmol), 3-bromo-4-fluorobenzaldehyde (1.10 g, 5.40 mmol) and 2-amino-2-pentene-4-one (0.535 g, 5.40 mmol) in ethyl alcohol (25 mL) were stirred in a sealed tube at 80° C. for 12 hours. The reaction mixture was cooled to ambient temperature and filtered to provide the title compound as a white solid (2.05 g, 52percent yield). MS (APCI+) m/z 379 (M+H)+; 1H NMR (DMSO-d6) delta9.01 (s, 1H), 7.41 (dd, 1H, J=6.6, 1.8 Hz), 7.24 (dd, 1H, J=8.7, 8.7 Hz), 7.18 (ddd, 1H, J=7.2, 5.1, 2.1 Hz), 7.02 (d, 1H, J=1.8 Hz), 4.98 (s, 1H), 3.17-3.09 (m, 2H), 2.47-2.34 (m, 214),2.31 (s, 3H), 2.09 (s, 3H); Anal. Calcd for C17H16N2O2FBr: C, 53.84; H, 4.25; N, 7.39. Found: C, 53.74; H, 4.36; N, 7.50. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With boron trifluoride diethyl etherate; In dichloromethane; at 130℃; for 0.216667h;Microwave irradiation; | General procedure: A substituted amino unsaturated ketone (2, 1 mmol) and boron trifluorid ediethyletherate (10 mol%) in dichloromethane (5 ml) were added to a solution of substituted phenacyl bromide (1, 1 mmol) and the mixture was irradiated with microwaves for 10-16 min at 130C (250 W). After completion of the reaction, asindicated by TLC analysis, the reaction mixture was poured on to crushed ice, neutralized with sodium bicarbonate, extracted with ethyl acetate, and the extract was concentrated by rotary evaporation. The residue was purified by silica gel column chromatography with hexane-EtOAc (7:3) as eluent to afford the pyrrole derivatives 3. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | With acetic acid; In isopropyl alcohol; at 100℃; for 19h; | A mixture of thianaphthene-3-carboxaldehyde (0.106 g, 0.65 mmol), <strong>[32249-35-7]methyl 3-cyclopropyl-3-oxopropanoate</strong> (0.071 g, 0.72 mmol) and 4-amino-3-penten-2-one (0.088 g, 0.61 mmol) and acetic acid (0.035 mL) in isopropylalcohol (1.5 mL) was heated to 100C and left to stir for 19 hours. The mixture was allowed to cool to RT and was then treated with saturated aqueous sodium bicarbonate solution (10 mL). The solid was filtered off, washed with water, dried and purified by column chromatography (4:1 hexane: ethyl acetate) affording a fine yellow solid (0.075 g, 44 %). 1H-NMR (400 MHz, DMSO-d6) δ = 0.76 (s, 2H), 0.96 (d, 2H), 2.12 (s, 3H), 2.33 (s, 3H), 2.69 (s, 1H), 3.58 (s, 3H), 5.43 (s, 1H), 7.15 (s, 1H), 7.31 (s, 1H), 7.38 (s, 1H), 7.90 (s, 2H), 8.05 (d, 1H). HPLC-MS: Rt 4.302 min, m/z 234.1 (MH+-133). (0600) A second reaction product was isolated by column chromatography: Example J1-a: Dimethyl 4-(benzo[b]thiophen-3-yl)-2,6-dicyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate (0601) 1H-NMR (400 MHz, DMSO-d6) δ = 0.56 (s, 2H), 0.82 (s, 2H), 0.90 (d, 2H), 1.04 (s, 2H), 2.56 (m, 2H), 3.55 (s, 5H), 5.37 (s, 1 H), 7.05 (s, 1 H), 7.11 (s 1 H), 7.32 (t, 1 H), 7.39 (t, 1H), 7.90 (d, 1 H), 7.98 (s, 1 H). HPLC-MS: Rt 4.935; m/z 276.1 (MH+). |
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