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[ CAS No. 1150163-69-1 ] {[proInfo.proName]}

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Chemical Structure| 1150163-69-1
Chemical Structure| 1150163-69-1
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Product Details of [ 1150163-69-1 ]

CAS No. :1150163-69-1 MDL No. :MFCD12026006
Formula : C8H5BrF2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DKMZPQFQQSKBRL-UHFFFAOYSA-N
M.W :251.02 Pubchem ID :46739483
Synonyms :

Safety of [ 1150163-69-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1150163-69-1 ]

* 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 [ 1150163-69-1 ]

[ 1150163-69-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2829351-23-5 ]
  • [ 1150163-69-1 ]
  • [ 2829351-35-9 ]
YieldReaction ConditionsOperation in experiment
59 % With potassium phosphate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) In tetrahydrofuran; water at 80℃; 5-(2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1,4-dihydroquinolin-6-yl)-2,3- difluorobenzoic acid Step 1, methyl 3'-acetyl-4'-amino-2',4,5,6'-tetrafluoro-[1,1'-biphenyl]-3- carboxylate: To a solution of methyl 5-bromo-2,3-difluorobenzoate (500 mg, 2.0 mmol, 1 equiv.), 1-(6-amino-2,4-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenyl)ethan-1-one (888 mg, 3.0 mmol, 1.5 equiv.) and K3PO4 (846 mg, 3.9 mmol, 2 equiv.) in water (2 mL) and THF (8 mL), was added [1,1′-bis(di-tert- butylphosphino)ferrocene]dichloropalladium(II) (129.8 mg, 199 μmol, 0.1 equiv.). The reaction mixture was stirred at 80 °C for 2 hours. The reaction mixture was poured into water (5mL) and stirred for 2 min. The aqueous phase was extracted with ethyl acetate (2 x 5 mL). The combined organic layers were washed with brine (2 x 5 mL), dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (15:1 to 5:1 petroleum ether:ethyl acetate) to afford the title compound (400 mg, 59% yield) as white solid.1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.72 - 7.78 (m, 1 H) 7.38 - 7.46 (m, 1 H) 6.26 (dd, J = 11.6, 1.53 Hz, 1 H) 3.93 - 4.00 (m, 3 H) 2.60 (d, J = 8.8 Hz, 3 H).
59 % With potassium phosphate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) In tetrahydrofuran; water at 80℃; 5-(2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1,4-dihydroquinolin-6-yl)-2,3- difluorobenzoic acid Step 1, methyl 3'-acetyl-4'-amino-2',4,5,6'-tetrafluoro-[1,1'-biphenyl]-3- carboxylate: To a solution of methyl 5-bromo-2,3-difluorobenzoate (500 mg, 2.0 mmol, 1 equiv.), 1-(6-amino-2,4-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)phenyl)ethan-1-one (888 mg, 3.0 mmol, 1.5 equiv.) and K3PO4 (846 mg, 3.9 mmol, 2 equiv.) in water (2 mL) and THF (8 mL), was added [1,1′-bis(di-tert- butylphosphino)ferrocene]dichloropalladium(II) (129.8 mg, 199 μmol, 0.1 equiv.). The reaction mixture was stirred at 80 °C for 2 hours. The reaction mixture was poured into water (5mL) and stirred for 2 min. The aqueous phase was extracted with ethyl acetate (2 x 5 mL). The combined organic layers were washed with brine (2 x 5 mL), dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (15:1 to 5:1 petroleum ether:ethyl acetate) to afford the title compound (400 mg, 59% yield) as white solid.1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.72 - 7.78 (m, 1 H) 7.38 - 7.46 (m, 1 H) 6.26 (dd, J = 11.6, 1.53 Hz, 1 H) 3.93 - 4.00 (m, 3 H) 2.60 (d, J = 8.8 Hz, 3 H).
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