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CAS No. : | 159783-41-2 | MDL No. : | MFCD14635878 |
Formula : | C11H13NO5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 239.23 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* 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 |
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100% | With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 17 h; Inert atmosphere | 3-Isopropoxy-4-aminomethylbenzoate 3-Isopropoxy-4-nitromethylbenzoate (2.60 g, 10.87 mmol) was dissolved in MeOH (91.0 mL) and degassed. Pd/C (10percent wt., 0.58 g, 0.54 mmol) was added and vacuum was applied under cooling to remove air. The flask was flushed with H2 and the suspension was stirred for 17 hours at room temperature. The catalyst was filtered over Celite®, washed with MeOH and the solvent was removed under reduced pressure. The crude product was purified by flash chromatography (petroleum ether/EtOAc=7/3). 3-Isopropoxy-4-aminomethylbenzoate was obtained (2.27 g, 10.85 mmol, quantitative) as a light orange solid. mp: 55-57° C. 1H NMR (400 MHz, CDCl3) δ 7.51 (dd, J=8.2, 1.7 Hz, 1H), 7.46 (d, J=1.7 Hz, 1H), 6.66 (dd, J=8.2, 5.1 Hz, 1H), 4.63 (sept, J=5.1 Hz, 1H), 3.85 (s, 3H), 1.36 (s, 3H), 1.35 (s, 3H) ppm. 13C NMR (100 MHz, CDCl3) δ 167.5, 144.24, 142.3, 124.0, 119.5, 114.1, 113.5, 70.9, 51.8, 22.3 ppm. HRMS (ESI): Calculated for C11H16NO3 (M+H)+: 210.1130. found: 210.1126. |