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[ CAS No. 3114-61-2 ]

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2D
Chemical Structure| 3114-61-2
Chemical Structure| 3114-61-2
Structure of 3114-61-2 *Storage: {[proInfo.prStorage]}

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SDS
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Alternatived Products of [ 3114-61-2 ]

Product Details of [ 3114-61-2 ]

CAS No. :3114-61-2MDL No. :MFCD16876801
Formula : C7H7NO4 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :169.13Pubchem ID :-
Synonyms :

Computed Properties of [ 3114-61-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 3114-61-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3114-61-2 ]

  • Upstream synthesis route of [ 3114-61-2 ]
  • Downstream synthetic route of [ 3114-61-2 ]

[ 3114-61-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 150-19-6 ]
  • [ 3114-61-2 ]
  • [ 16292-95-8 ]
  • [ 704-14-3 ]
YieldReaction ConditionsOperation in experiment
29% With bismuth (III) nitrate pentahydrate In acetone at 0℃; for 20 h; General procedure: To a solid mixture of phenol (1–3 equiv) and Bi(NO3)35H2O (1 equiv) or Fe(NO3)39H2O (1 equiv) was added acetone (10 ml/mmol). The resulting mixture was stirred at room temperature under air or at reflux for 2–24 hours, Tables 1 and 2. When the reaction was completed the insoluble materials were filtered off using a pad of Celite and the residue was washed by acetone (ca. 5 ml/mmol). The filtrate was treated by NaHCO3 (0.1 g/mmol) until evolution of CO2 stopped. Insoluble material was filtered off again, and the solvent was removed under vacuum in a water bath 25–35°C. The nitrated products were separated or purified using silica gel chromatography, to give pure phenolic compounds. All products were characterized by 1H NMR,13C NMR and IR and were identified by comparison of the spectral data and melting points with those reported in literature and characterized.
Reference: [1] Synthetic Communications, 2015, vol. 45, # 1, p. 143 - 150
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