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Chemical Structure| 1613386-27-8 Chemical Structure| 1613386-27-8

Structure of 1613386-27-8

Chemical Structure| 1613386-27-8

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Product Details of [ 1613386-27-8 ]

CAS No. :1613386-27-8
Formula : C7H4BrFN2
M.W : 215.02
SMILES Code : N#CC1=CC(N)=C(F)C=C1Br

Safety of [ 1613386-27-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-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 [ 1613386-27-8 ]

* 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 [ 1613386-27-8 ]

[ 1613386-27-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 859855-53-1 ]
  • [ 1613386-27-8 ]
YieldReaction ConditionsOperation in experiment
62% With N-Bromosuccinimide; In acetonitrile; at 20℃; for 12h; 3-amino-4-fluorobenzonitrie (9.82 g, 72.1 mmol) was dissolved in acetonitrie to give a pale yellow solution. NBS (13.5g, 75.7 mmol) was added in portions; the reaction mixture tumed brown-blackish but remained a soution. After the completion of the reaction was confirmed by TLC and HPLC, silica gel was added to the reaction mixture and the solvent was evaporated under reduced pressure. The crude product was leaded on a CombiFlash column (330 g) and the product was eluted with hexanes/ethyl acetate (0 - 15% gradient). The clean fractions were combined to give 9.63 g (62%) of a yellowish off-white solid. More product was found in mixed fractions which were discarded. 1H NMR (300 MHz, dmso) 3 7.57 (d, J = 10.9 Hz. 1H). 7.17 (d. J= 8.7 Hz. 1H). 5.85 (s br. 2H); MS (ES) 213/215 (M-H).
 

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