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Chemical Structure| 25458-45-1 Chemical Structure| 25458-45-1

Structure of 25458-45-1

Chemical Structure| 25458-45-1

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Product Details of [ 25458-45-1 ]

CAS No. :25458-45-1
Formula : C8H9BrO2
M.W : 217.06
SMILES Code : COCOC1=CC=C(Br)C=C1
MDL No. :MFCD00457268
Boiling Point : No data available
InChI Key :BDRBSCRINVJXKW-UHFFFAOYSA-N
Pubchem ID :10465919

Safety of [ 25458-45-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 25458-45-1 ]

* 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 [ 25458-45-1 ]

[ 25458-45-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 269410-10-8 ]
  • [ 25458-45-1 ]
  • methyl 6-methoxy-4'-(methoxymethoxy)biphenyl-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; for 24h;Inert atmosphere; Reflux; Under argon atmosphere, a solution of 16 (71.2 mg, 0.291 mmol) and 10 (70.8 mg, 0.268 mmol) in dioxane (2 mL) was added to [1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloride dichloromethane adduct (22.1 mg, 0.027 mmol), and tripotassium phosphate (175 mg, 0.824 mmol) at room temperature. After being refluxed for 24 h, the reaction mixture was evaporated. The residue was chromatographed over silica gel eluted by hexane-EtOAc (9:1) to give 17 (75.4 mg, 0.249 mmol, 93%). Data for 17: colorless oil; 1H NMR (400 MHz, CDCl3) δ 7.98-8.02 (2H, m), 7.46 (2H, d, J=8.9 Hz), 7.09 (2H, d, J=8.9 Hz), 6.97 (1H, d, J=9.1 Hz), 5.21 (2H, s), 3.89 (3H, s), 3.86 (3H, s), 3.50 (3H, s); 13C NMR (100 MHz, CDCl3) δ 166.8, 160.1, 156.6, 132.2, 131.0, 130.6 (2C), 130.4, 130.0, 122.6, 115.8 (2C), 110.5, 94.4, 55.9, 55.7, 51.8; LREIMS m/z 302 [M]+ (100%), 272 (36%), 226 (11%); HREIMS m/z 302.1141 [M]+ (302.1154 calcd for C17H18O5).
 

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