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[ CAS No. 1354819-26-3 ]

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2D
Chemical Structure| 1354819-26-3
Chemical Structure| 1354819-26-3
Structure of 1354819-26-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1354819-26-3 ]

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Alternatived Products of [ 1354819-26-3 ]

Product Details of [ 1354819-26-3 ]

CAS No. :1354819-26-3MDL No. :MFCD18397559
Formula : C7H6BF3O4 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :221.93Pubchem ID :-
Synonyms :

Computed Properties of [ 1354819-26-3 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1354819-26-3 ]

Signal Word:WarningClass:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501UN#:
Hazard Statements:H302-H312-H332Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1354819-26-3 ]

  • Downstream synthetic route of [ 1354819-26-3 ]

[ 1354819-26-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 110-87-2 ]
  • [ 1354819-26-3 ]
  • [ 89717-64-6 ]
  • [ 1354819-27-4 ]
YieldReaction ConditionsOperation in experiment
To a solution of 2-hydroxy-5-(thfluoromethoxy)phenylboronic acid (Preparation 23, 20.5 g, 92.4 mmol) and 4-bromo-3-nitro-1 -(tetrahydro-2H-pyran-2-yl)-1 H-pyrazole or 4- bromo-5-nitro-1 -(tetrahydro-2H-pyran-2-yl)-1 H-pyrazole (Preparation 22, 22.7 g, 82.2 mmol) in 1 ,2-dimethoxyethane (300 ml_) and 2 M potassium carbonate in water (1 17 ml_, 212 mmol) was added tetrakis(triphenylphosphine)palladium(0) (5.0 g, 4.3 mmol). The solution was sparged with argon (x 3) and heated at 80 C for 8 hours. The reaction mixture was cooled to ambient temperature and the layers separated. The aqueous phase was washed with ethyl acetate (x 2). The combined organic phase was dried over anhydrous magnesium sulfate and concentrated in vacuo. The residue was purified by silica gel column chromatography (0 to 30% ethyl acetate in hexanes gradient elution) and concentrated in vacuo. Excess hexanes was added to the residue and the resulting solid was collected by filtration and dried in vacuo to afford the title compound as off white crystals (19.5 g).1H NMR (300 MHz, d6-DMSO): delta 1 .46-1 .78 (m, 3H), 1 .87-2.20 (m, 3H), 3.69 (m, 1 H), 3.97 (d, 1 H), 5.56 (d, 1 H), 6.93 (d, 1 H), 7.22 (d, 1 H), 7.31 (s, 1 H), 8.33 (s, 1 H), 10.19 (br s, 1 H).LCMS Rt = 1 .77 min MS m/z 372 [M-H]-
  • 2
  • [ 290832-43-8 ]
  • [ 1354819-26-3 ]
YieldReaction ConditionsOperation in experiment
A suspension of 2-methoxy-5-(trifluoromethoxy)phenylboronic acid (23.0 g, 97.5 mmol) in dichloromethane (140 ml_) was cooled to 0 C and boron tribromide (9.4 ml_,10 mmol) was added drop-wise over 30 min. After stirring for 3 hours, additional boron tribromide (2 ml_) was added. The reaction mixture was poured into ice water and stirred for 20 min. The dichloromethane was removed in vacuo and the white solid collected by filtration and washed with water before drying in vacuo to afford the title compound(20.8 g). HNMR (d4-Methanol): δ 6.78 (d, 1 H), 7.1 1 (d, 1 H), 7.40 (br s, 1 H).LCMS Rt = 1 .67 min MS m/z 221 [M-H]-
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