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Chemical Structure| 1379313-54-8 Chemical Structure| 1379313-54-8

Structure of 1379313-54-8

Chemical Structure| 1379313-54-8

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Product Details of [ 1379313-54-8 ]

CAS No. :1379313-54-8
Formula : C10H9BrFNO
M.W : 258.09
SMILES Code : O=C1NC2=C(C=C(F)C(Br)=C2)C1(C)C
MDL No. :MFCD19687678

Safety of [ 1379313-54-8 ]

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 [ 1379313-54-8 ]

* 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 [ 1379313-54-8 ]

[ 1379313-54-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 893620-44-5 ]
  • [ 74-88-4 ]
  • [ 1379313-54-8 ]
YieldReaction ConditionsOperation in experiment
3.6 g a) 6-Bromo-5-fluoro-3,3-dimethylindolin-2-one To a solution of potassium tert-butoxide (9.27 g, 82.6 mmol) in dry THF (50 ml) under icebath cooling was added <strong>[893620-44-5]6-bromo-5-fluoroindolin-2-one</strong> (example 20c, 3.8 g, 16.5 mmol) in portions, followed by copper (I) bromide-dimethyl sulfide complex (340 mg, 1.65 mmol). After cooling to 2C methyl iodide (4.92 g, 2.17 ml, 34.7 mmol) was added slowly over a period of 30 minutes. The reaction mixture was warmed to room temperature, stirred for 16 hours, then cooled to 0C and carefully quenched with saturated ammonium chloride solution. The mixture was diluted with tert-butyl methyl ether and water. The aqueous phase was extracted with tert-butyl methyl ether, the combined organic phases were dried over sodium sulfate, the solvent was evaporated and the residue purified by silica gel chromatography using ethyl acetate/ heptane as eluent and followed by trituration with diethyl ether. The title compound was obtained as yellow solid (3.6 g). MS ESI (m/z): 258.0/ 260.0 [(M+H)+]. 1H NMR (CDCI3, 400 MHz): (ppm) = 10.44 (bs, 1H), 7.48-7.45 (m, 1H), 7.05-7.04 (m, 1H), 1.25 (s, 6H).
 

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