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Chemical Structure| 654-97-7 Chemical Structure| 654-97-7

Structure of 654-97-7

Chemical Structure| 654-97-7

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Product Details of [ 654-97-7 ]

CAS No. :654-97-7
Formula : C8H4BrF3O2
M.W : 269.02
SMILES Code : OC(=O)C1=C(C=CC(Br)=C1)C(F)(F)F
MDL No. :MFCD12026306
InChI Key :SWSCMXZZHFRZLX-UHFFFAOYSA-N
Pubchem ID :50998140

Safety of [ 654-97-7 ]

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

Application In Synthesis of [ 654-97-7 ]

* 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 [ 654-97-7 ]

[ 654-97-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3095-48-5 ]
  • [ 654-97-7 ]
  • [ 1529761-45-2 ]
YieldReaction ConditionsOperation in experiment
39% Scheme 25, step A. To a solution of 5-bromo-2-(trifluoromethyl)benzoic acid (1.0g, 3.53 mmol) in CH2Ch (6 ml) at room temperature are added methyl3-amino-3,5-dimethylbenzoate (0.44 g, 2.47 mmol, see preparation 12) and trimethylamine (1.0 ml,7.06 mmol). After stirring the reaction mixture for 10 minutes, 1-propanephosphonicacid cyclic anhydride (50percent solution in ethyl acetate, 5.6 ml, 8.83 mmol) is added viasyringe. After 14 hours at ambient temperature, the reaction mixture is diluted with CH2Cl2, washed with water and brine. The organic layers are combined and dried overanhydrous Na2S04, filtered, and concentrated under reduced pressure. The resultingresidue is purified by flash chromatography (silica gel) using 20percent ethyl acetate inhexanes to give the title compound as a white solid (0.6 g, 39 percent).
 

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