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CAS No. : | 1131-18-6 | MDL No. : | MFCD00020727 |
Formula : | C10H11N3 | Boiling Point : | No data available |
Linear Structure Formula : | C6H5NC(NH2)CHC(CH3)N | InChI Key : | FMKMKBLHMONXJM-UHFFFAOYSA-N |
M.W : | 173.21 | Pubchem ID : | 70801 |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | |
Hazard Statements: | H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
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* 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% | With toluene-4-sulfonic acid; In ethanol; water; at 80.0℃; | A solution of 5-aminopyrazole 5a-c (0.1 mmol), beta-diketone 3 (0.1 mmol) and isatin 6 (0.1 mmol) in H2O/EtOH [5:1 (v/v))] and a catalytic amounts of PTSA (0.1 g) was heated at 80 C (water bath) for 6-12 h. Then, the reaction mixture was filtered hot and the resulting solid products were washed with ethanol, dried in air and recrystallized from ethanol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetonitrile; at 80℃; for 16h; | COMPOUND 111-(5-methoxypyridin-2-yl)-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)ureaTo a solution of 3 -methyl- 1 -phenyl- lH-pyrazol-5 -amine (50 mg, 0.29 mmol) in CH3CN (2 mL) was added 4-methoxypyridin-2-amine (43 mg, 0.35 mmol) and CDI (56 mg, 0.35 mmol). The mixture was stirred for 16 h at 80 °C. The reaction mixture was cooled, and concentrated, and the residue was purified by prep-HPLC using a reversed phase C18column and eluting with a gradient of H20:CH3CN:CF3C02H - 95:5:0.1 to 5:95:0.1, to give the title compound as a white solid. MS: m/z = 324 (M+H). 1H NMR (400 MHz, CDC13) delta 7.76-7.70 (m, 2H), 7.54-7.38 (m, 5H), 6.72 (m, 1H), 6.45 (s, 1H), 4.02 (s, 3H), 2.35 (s, 3H). |