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[ CAS No. 850033-39-5 ]

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2D
Chemical Structure| 850033-39-5
Chemical Structure| 850033-39-5
Structure of 850033-39-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 850033-39-5 ]

Related Doc. of [ 850033-39-5 ]

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Alternatived Products of [ 850033-39-5 ]
Alternatived Products of [ 850033-39-5 ]

Product Details of [ 850033-39-5 ]

CAS No. :850033-39-5MDL No. :MFCD09475816
Formula : C8H8BF3O3 Boiling Point : 280.8°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :219.95Pubchem ID :-
Synonyms :

Computed Properties of [ 850033-39-5 ]

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

Safety of [ 850033-39-5 ]

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

Application In Synthesis of [ 850033-39-5 ]

  • Downstream synthetic route of [ 850033-39-5 ]

[ 850033-39-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 100367-39-3 ]
  • [ 850033-39-5 ]
  • [ 1613401-85-6 ]
YieldReaction ConditionsOperation in experiment
82% With potassium carbonate; In dimethyl sulfoxide; a) 2-Methoxy-4-(2-methyl-4-(trifluoromethoxy)phenyl)pyridine A mixture of <strong>[100367-39-3]4-bromo-2-methoxypyridine</strong> (658 mg, 3.50 mmol), 2-methyl-4-trifluoromethoxyphenylboronic acid (1.00 g, 4.55 mmol), and potassium carbonate (1.45 g, 10.5 mmol) in anhydrous DMSO (7 mL) was degassed for several minutes with argon. Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct (147 mg, 0.18 mmol) was added and, after degassing briefly with argon again, the flask was sealed, and the reaction was heated to 90 C. and stirred for 4 h. After cooling to rt, the reaction mixture was diluted with ethyl acetate, washed with 5% lithium chloride solution (4*), dried over sodium sulfate, filtered, and concentrated. Flash chromatography (40 g ISCO Gold column, 2%-20% ethyl acetate/hexanes) provided the title compound (816 mg, 82%) as a colorless oil: 1H NMR (500 MHz, CDCl3) delta 8.20 (d, J=5.0 Hz, 1H), 7.21 (d, J=8.0 Hz, 1H), 7.13 (s, 1H), 7.11 (d, J=8.5 Hz, 1H), 6.09 (dd, J=5.5, 1.5 Hz, 1H), 6.67 (s, 1H), 3.99 (s, 3H), 2.28 (s, 3H); ESI MS m/z 284 [M+H]+.
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