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[ CAS No. 159783-41-2 ] {[proInfo.proName]}

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Chemical Structure| 159783-41-2
Chemical Structure| 159783-41-2
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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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* 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.

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[ 159783-41-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 159783-41-2 ]
  • [ 681465-85-0 ]
YieldReaction ConditionsOperation in experiment
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.
Reference: [1] Patent: US2016/145304, 2016, A1, . Location in patent: Paragraph 0387; 0388; 0389; 0390; 0391; 0392
[2] Organic and Biomolecular Chemistry, 2012, vol. 10, # 15, p. 2928 - 2933
[3] Organic and Biomolecular Chemistry, 2008, vol. 6, # 1, p. 138 - 146
[4] Journal of the American Chemical Society, 2015, vol. 137, # 24, p. 7608 - 7611
[5] Tetrahedron Letters, 2011, vol. 52, # 29, p. 3705 - 3709
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