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CAS No. : | 273920-24-4 | MDL No. : | MFCD18907619 |
Formula : | C10H12N2O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 224.21 | Pubchem ID : | 22293963 |
Synonyms : |
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TPSA :Topological Polar Surface Area | 98.1 | H-Bond Acceptor Count : | 5 |
XLogP3 : | 0.5 | H-Bond Donor Count : | 1 |
SP3 : | 0.30 | Rotatable Bond Count : | 4 |
Signal Word: | Warning | Class | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | at 20℃; | Intermediate 1 (5 g, 23.8 mmol) was added to a solution of acetyl chloride (5 ml) in MeOH (125 ml). The resulting solution was stirred at room temperature overnight. The solvents were then removed in vacuo and the resulting solid was triturated with hot ether, collected by filtration and washed with more ether to leave the title compound as a pale yellow powder (5.35 g, 100percent). δH (D2O) 8.32 (2H, d, J 8.9 Hz, ArH), 8.75 (2H, d, J 8.9 Hz, ArH), 4.90 (1H, dd, J 7.2, 6.9 Hz, CHNH2), 3.70 (3H, s, CO2Me), 3.19 (1H, dd, J 17.1, 7.5 Hz, CHAHB) and 3.09 (1H, dd, J 17.1, 6.6 Hz, CHAHB); m/z (ES+, 60V) 225 (MH+). |
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