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Chemical Structure| 333-47-1 Chemical Structure| 333-47-1

Structure of 333-47-1

Chemical Structure| 333-47-1

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Product Details of [ 333-47-1 ]

CAS No. :333-47-1
Formula : C7H4BrF3S
M.W : 257.07
SMILES Code : FC(SC1=CC=C(Br)C=C1)(F)F
MDL No. :MFCD00040840
Boiling Point : No data available
InChI Key :CQQBVMXLTBXNLB-UHFFFAOYSA-N
Pubchem ID :736413

Safety of [ 333-47-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319-H335
Precautionary Statements:P210-P261-P305+P351+P338
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 333-47-1 ]

* 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 [ 333-47-1 ]

[ 333-47-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 333-47-1 ]
  • [ 73183-34-3 ]
  • [ 1005206-25-6 ]
YieldReaction ConditionsOperation in experiment
64% With potassium acetate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In N,N-dimethyl-formamide; at 90℃; for 3.5h;Inert atmosphere; A suspension of 1-bromo-4-[(trifluoromethyl)thio]benzene (5.74 mL, 38.2 mmol), bis(pinacolate)diboron (9.70 g, 38.2 mmol), [1,1'-bis(diphenylphosphino)ferrocene]palladium(II) chloride dichloromethane complex (0.934 g, 1.15 mmol) and potassium acetate (11.3 g, 115 mmol) in N,N-dimethylformamide (100 mL) was stirred under an argon atmosphere at 90 C. for 3.5 hr. After cooling, the reaction mixture was diluted with ethyl acetate, washed twice with water and once with saturated brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (hexane/ethyl acetate=3/1) and recrystallized from hexane to give the title compound (7.38 g, yield 64%) as colorless crystals.melting point 118-119 C.1H NMR (CDCl3) δ 1.35 (12H, s), 7.62-7.66 (2H, m), 7.82-7.86 (2H, m).Elemental analysis (for C13H16BF3O2S)Calculated (%): C, 51.34; H, 5.30.Found (%): C, 51.42; H, 5.25.
  • 2
  • [ 333-47-1 ]
  • [ 1005206-25-6 ]
 

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