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Chemical Structure| 773874-13-8 Chemical Structure| 773874-13-8

Structure of 773874-13-8

Chemical Structure| 773874-13-8

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Product Details of [ 773874-13-8 ]

CAS No. :773874-13-8
Formula : C9H6BrF3O3
M.W : 299.04
SMILES Code : O=C(OC)C1=CC(Br)=CC=C1OC(F)(F)F
MDL No. :MFCD06203799
Boiling Point : No data available
InChI Key :RLAXIDPRPKZATK-UHFFFAOYSA-N
Pubchem ID :11120089

Safety of [ 773874-13-8 ]

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

Application In Synthesis of [ 773874-13-8 ]

* 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 [ 773874-13-8 ]

[ 773874-13-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 403646-47-9 ]
  • [ 773874-13-8 ]
YieldReaction ConditionsOperation in experiment
89% sulfuric acid;Heating / reflux; To a solution of 5-Bromo-2-trifluoromethoxy-benzoic acid (200 mg) in MeOH (2 ml) was added sulphuric acid (98%, 20µl) and the reaction was stirred under reflux overnight. The reaction was concentrated, then ethyl acetate (20 ml) was added. The organic phase was washed with brine (2x), dried over sodium sulphate and the solvent distilled off to yield 89% of the title compound. 1H-NMR (DMSO-d6): 8.08 d (J = 2.6 Hz, 1H); 7.97 dd (J = 2.6 Hz / 8.7 Hz, 1H); 7.52 m (1H); 3.88 s (3H).
89% With sulfuric acid; In water; 2c) 5-Bromo-2-trifluoromethoxy-benzoic acid methyl ester To a solution of 5-Bromo-2-trifluoromethoxy-benzoic acid (200 mg) in MeOH (2 ml) was added sulphuric acid (98%, 20μl) and the reaction was stirred under reflux overnight. The reaction was concentrated, then ethyl acetate (20 ml) was added. The organic phase was washed with brine (2x), dried over sodium sulphate and the solvent distilled off to yield 89% of the title compound. 1H-NMR (DMSO-d6): 8.08 d (J = 2.6 Hz, 1 H); 7.97 dd (J = 2.6 Hz / 8.7 Hz, 1 H); 7.52 m (1 H); 3.88 s (3H).
1250 mg With sulfuric acid; at 70℃; for 16h; To a mixture of <strong>[403646-47-9]5-bromo-2-(trifluoromethoxy)benzoic acid</strong> (1.22 g, 4.28 mmol) in methanol (5 mL) was added ]_804 (0.68 mL, 12.84 mmol). The mixture was stirred at 70 C for 16 hours. After cooling to r.t., the mixture was concentrated, the residue was diluted with H2O (50 mL) and extracted with EtOAc (100 mL x 2). The combined organic phase was washed with brine (50 mL), dried over Na2S04, filtered and concentrated to give the crude product. The crude product was purified by flash chromatography on silica gel (EtOAc in PE = 0 to 20%) to give the product (1250 mg, 4.18 mmol) as an oil. H NMR (400MHz, CDC13) _ = 8.10 (d, 1H), 7.69 (dd, 1H), 7.22 (dd, 1H), 3.95 (s, 3H).
 

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