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Chemical Structure| 731817-89-3 Chemical Structure| 731817-89-3

Structure of 731817-89-3

Chemical Structure| 731817-89-3

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Product Details of [ 731817-89-3 ]

CAS No. :731817-89-3
Formula : C6H5BBrFO2
M.W : 218.82
SMILES Code : FC1=C(Br)C(B(O)O)=CC=C1
MDL No. :MFCD27996941
InChI Key :WSTBHBDRGFAJCK-UHFFFAOYSA-N
Pubchem ID :67484846

Safety of [ 731817-89-3 ]

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

Application In Synthesis of [ 731817-89-3 ]

* 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 [ 731817-89-3 ]

[ 731817-89-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 731817-89-3 ]
  • [ 425379-16-4 ]
  • [ 731817-94-0 ]
YieldReaction ConditionsOperation in experiment
29% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; water; at 80℃; for 18h; The product of Example 12 step a) (1.00 g, 4.57 mmol) and 2-BROMO- 3-FLUOROBENZONITRILE (0.91 g, 4.57 mmol) were suspended in 1, 2- dimethoxyethane (20 ml) and 2 N sodium carbonate (10 ml) and the mixture degassed with nitrogen for 30 min. TETRAKIS-TRIPHENYLPHOSPHINE palladium (0) (211 mg, 0.18 mmol) was added and the mixture was heated at 80C for 18 h. The mixture was allowed to cool to ambient temperature, DILUTED WITH ETHYL ACETATE (100 ML) AND WASHED WITH 2 N SODIUM HYDROXIDE solution (75 ml), water (50 ml) and brine (50 ml), dried over anhydrous sodium sulfate, filtered and evaporated to give a pale yellow oil. The oil was purified by flash column chromatography on silica eluting with 0-15% ETOAC/ISOHEXANE to give 0.39 g (29%) of the title compound as a colourless oil which solidified on standing: ON (400 MHz, CDCL3) 7.19 (1 H, ddd, J 8.0, 8.0, 1.0), 7.34-7. 38 (1 H, m), 7.44 (1 H, td, J9.0, 1.4), 7.50-7. 56 (1 H, m), 7.61 (1 H, ddd, J7. 8, 1.0, 0.6), 7. 68-7. 72 (1 H, m).
 

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