[ CAS No. 139911-28-7 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 139911-28-7
Chemical Structure| 139911-28-7
Structure of 139911-28-7

Quality Control of [ 139911-28-7 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 139911-28-7 ]

SDS

Product Details of [ 139911-28-7 ]

CAS No. :139911-28-7MDL No. :MFCD06204688
Formula :C9H8BrFO2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :247.06Pubchem ID :15037299
Synonyms :

Computed Properties of [ 139911-28-7 ]

TPSA : 26.3 H-Bond Acceptor Count : 3
XLogP3 : 2.9 H-Bond Donor Count : 0
SP3 : 0.22 Rotatable Bond Count : 3

Safety of [ 139911-28-7 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 139911-28-7 ]

  • Upstream synthesis route of [ 139911-28-7 ]

[ 139911-28-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 451-02-5 ]
  • [ 139911-28-7 ]
YieldReaction ConditionsOperation in experiment
70% With sodium persulfate; N-Bromosuccinimide; trifluorormethanesulfonic acid; palladium diacetate In 1,2-dichloro-ethane at 80℃; for 9.00 h; Compound 1 (1.68 g, 1.0 equiv.), NBS (1.87 g, 1.05 equiv.), Pd(OAc)2 (78.5 mg, 0.035 equiv.) and Na2S2O8 (2.86 g, 1.2 equiv.) were dissolved in commercial dichloroethane (12 mL) in a 100 mL round bottom flask. Then TfOH (2.2 mL, 2.5 equiv.) was added into the reaction solution. Then the reaction mixture was stirred at 80 °C for 9 h. After completion of the reaction, the mixture was cooled to room temperature and then saturated NaHCO3 was added to quench the reaction. The reaction mixture was diluted with dichloromethane and washed once with saturated aqueous NaHCO3. Then organic layer was dried over Na2SO4 and concentrated on rotavapor under reduced pressure. Finally the residue was purified by silical gel column chromatography to give compound 2 (1.71 g) in 70percent yield.
Reference: [1] Chinese Chemical Letters, 2014, vol. 25, # 5, p. 667 - 669
  • 2
  • [ 64-17-5 ]
  • [ 394-28-5 ]
  • [ 139911-28-7 ]
Reference: [1] Journal of the American Chemical Society, 2017, vol. 139, # 23, p. 7745 - 7748
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