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Chemical Structure| 334792-76-6 Chemical Structure| 334792-76-6

Structure of 334792-76-6

Chemical Structure| 334792-76-6

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Product Details of [ 334792-76-6 ]

CAS No. :334792-76-6
Formula : C9H8BrFO2
M.W : 247.06
SMILES Code : O=C(OCC)C1=CC=CC(Br)=C1F
MDL No. :MFCD10566819
Boiling Point : No data available
InChI Key :GQNWAVFXHZEZKP-UHFFFAOYSA-N
Pubchem ID :17832538

Safety of [ 334792-76-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 334792-76-6 ]

* 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 [ 334792-76-6 ]

[ 334792-76-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 64-17-5 ]
  • [ 161957-56-8 ]
  • [ 334792-76-6 ]
YieldReaction ConditionsOperation in experiment
92% With sulfuric acid; at 20℃; for 24h;Reflux; To a stirred solution of <strong>[161957-56-8]3-bromo-2-fluorobenzoic acid</strong> 1 (25.0 g, 114.15 mmol) in ethanol (400 mL) was added conc. H2S04 (3 mL) at RT and stirred at reflux temperature for 24 h. The reaction was monitored by LC-MS; after completion of the reaction, the reaction mixture was concentrated to obtain the residue. The residue was diluted with EtOAc (500 mL), washed with water (300 mL), brine (300 mL), dried over Na2SO4, filtered and concentrated under reduced pressure to afford compound 2 (26.0 g, 92%) as a light yellow liquid. 1H NMR (400 MHz, CDC13): (57.88-7.84 (m, 1H), 7.72-7.69 (m, 1H), 7.08-7.04 (m, 1H), 4.39 (q, J= 7.2 Hz, 2H), 1.39 (t, J= 7.2 Hz, 3H).
92% With sulfuric acid; for 24h;Reflux; Step 1: Synthesis of ethyl 3-bromo-2-fluorobenzoate (2’):1003051 To a stirred solution of <strong>[161957-56-8]3-bromo-2-fluorobenzoic acid</strong> 1(25.0 g, 114.15 mmol) in ethanol (400 mL) was added conc. H2S04 (3 mL) at RT and stirred at reflux temperature for 24 h. The reaction was monitored by LC-MS; after completion of the reaction, the reaction mixture was concentrated to obtain the residue. The residue was diluted with EtOAc (500 mL), washed with water (300 mL), brine (300 mL), dried over Na2SO4, filtered and concentrated under reduced pressure to afford compound 2 (26.0 g, 92%) as a light yellow liquid. 1H NMR (400 MHz, CDC13): (57.88-7.84 (m, 1H), 7.72-7.69 (m, 1H), 7.08-7.04 (m, 1H), 4.39 (q, J= 7.2 Hz, 2H), 1.39 (t, J 7.2 Hz, 3H).
92% With sulfuric acid; for 24h;Reflux; Step 5: Synthesis of ethyl 3-bromo-2-fluorobenzoate (A2) To a stirred solution of <strong>[161957-56-8]3-bromo-2-fluorobenzoic acid</strong> A1 (25.0 g, 114.15 mmol) in ethanol (400 mL) was added conc. H2SO4 (3 mL) at RT and stirred at reflux temperature for 24 h. The reaction was monitored by LC-MS; after completion of the reaction, the reaction mixture was concentrated to obtain the residue. The residue was diluted with EtOAc (500 mL), washed with water (300 mL), brine (300 mL), dried over Na2SO4, filtered and concentrated under reduced pressure to afford compound A2 (26.0 g, 92%) as a light yellow liquid. 1H NMR (400 MHz, CDCl3): δ 7.88-7.84 (m, 1H), 7.72-7.69 (m, 1H), 7.08-7.04 (m, 1H), 4.39 (q, J=7.2 Hz, 2H), 1.39 (t, J=7.2 Hz, 3H).
92% With sulfuric acid; for 24h;Reflux; To a stirred solution of <strong>[161957-56-8]3-bromo-2-fluorobenzoic acid</strong> Al (25.0 g, 114.15 mmol)in ethanol (400 mL) was added conc. H2 SO4 (3 mL) at RT and stirred at reflux temperature for 24 h. The reaction was monitored by LC-MS; after completion of the reaction, the reaction mixture was concentrated to obtain the residue. The residue was diluted with EtOAc (500 mL), washed with water (300 mL), brine (300 mL), dried over Na2 SO4, filtered and concentrated under reduced pressure to afford compound A2 (26.0 g, 92%) as a light yellow liquid. 1H NMR (400 MHz, CDC13): ö 7.88-7.84 (m, 1H), 7.72-7.69 (m, 1H), 7.08-7.04 (m, 1H), 4.39 (q, J = 7.2 Hz, 2H), 1.39 (t, I = 7.2 Hz, 3H).

 

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