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Chemical Structure| 52405-73-9 Chemical Structure| 52405-73-9

Structure of 52405-73-9

Chemical Structure| 52405-73-9

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Product Details of [ 52405-73-9 ]

CAS No. :52405-73-9
Formula : C7H7NO3
M.W : 153.14
SMILES Code : O=C(N)C1=CC(O)=CC=C1O
MDL No. :MFCD00870089
InChI Key :FRXZIFVYTNMCHF-UHFFFAOYSA-N
Pubchem ID :72877

Safety of [ 52405-73-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 52405-73-9 ]

* 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.

  • Downstream synthetic route of [ 52405-73-9 ]

[ 52405-73-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2150-46-1 ]
  • [ 52405-73-9 ]
YieldReaction ConditionsOperation in experiment
72% With ammonium hydroxide; for 1h;Reflux; A solution of methyl gentisate (10 mmol) in 25-30% aq NH4OH (5 mL) was refluxed for 1 h, then concentrated in vacuo. Recrystallization from water-methanol (3:1) afforded 98 (1.10 g, 72%) as yellow thin plates: 1H NMR (DMSO-d6, 300 MHz) δ 11.70 (br s, 1H), 8.28 (br s, 1H), 7.74 (br s, 1H), 7.23 (d, J = 3.0 Hz, 1H), 6.89 (dd, J = 8.7, 3.0 Hz, 1H), 6.72 (d, J = 8.7 Hz, 1H), 4.98 (s, 1H), 3.94 (s,3H); 13C NMR (DMSO-d6, 125 MHz) δ 172.5, 153.8, 149.4, 122.2, 118.1, 115.2, 114.0; HRMS (ESI) m/z 154.0497 (MH+, C7H7NO3H+requires 154.0459).
 

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