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Chemical Structure| 398-93-6 Chemical Structure| 398-93-6

Structure of 398-93-6

Chemical Structure| 398-93-6

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Product Details of [ 398-93-6 ]

CAS No. :398-93-6
Formula : C8H6BrF2NO
M.W : 250.04
SMILES Code : CC(NC1=CC(Br)=C(F)C=C1F)=O

Safety of [ 398-93-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 398-93-6 ]

* 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 [ 398-93-6 ]

[ 398-93-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 452-92-6 ]
  • [ 108-24-7 ]
  • [ 398-93-6 ]
YieldReaction ConditionsOperation in experiment
95% at 60 - 65℃; for 0.666667h; To a flask is added Ac2O (389 mL) with stirring in a heating block at about 61 C. (internal temperature 60 C.). To the flask is added <strong>[452-92-6]5-bromo-2,4-difluoroaniline</strong> (77.7 g, 374 mmol) portion wise over 30 min, maintaining an internal temperature below 65 C. during the addition. The reaction mixture is stirred in a heating block at about 61 C. for 10 min, and cooled to RT to give a residue which is concentrated from toluene (4×200 mL) to give a pale brown/pink solid. The concentrated solid is suspended in heptane (80 mL) and the mixture is agitated on a rotary evaporator in a 50 C. water bath for 15 min at atmospheric pressure, cooled to RT, and filtered. The filtered solid is collected and dried under vacuum at 40 C. for 2 h to obtain the title compound (89.6 g, 95% yield) as an off-white solid. ES/MS m/z: 250 (M+H).
 

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