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Chemical Structure| 1041114-64-0 Chemical Structure| 1041114-64-0

Structure of 1041114-64-0

Chemical Structure| 1041114-64-0

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Product Details of [ 1041114-64-0 ]

CAS No. :1041114-64-0
Formula : C10H9BrO3
M.W : 257.08
SMILES Code : O=C(O)/C=C/C1=CC(OC)=CC(Br)=C1
MDL No. :MFCD18391895

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* 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 [ 1041114-64-0 ]

[ 1041114-64-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 74137-36-3 ]
  • [ 79-10-7 ]
  • [ 1041114-64-0 ]
YieldReaction ConditionsOperation in experiment
32% With triethylamine;palladium diacetate; triphenylphosphine; In xylene; at 100℃; for 11h;Inert atmosphere; To a solution of <strong>[74137-36-3]1,3-dibromo-5-methoxybenzene</strong> (9.18 mmol, 1 eq) in 2 ml of xylene under a nitrogen atmosphere, acrylic acid (0.63 ml, 9.18 mmol, 1 eq), Pd(OAc)2 (1 mole percent, 20.66 mg), triphenylphosphine (4 mole percent, 69.2 mg) and triethylamine (19.278 ml, 2.7, 2.1 eq) are added. The reaction mixture is stirred at 100° C. for 11 h. Thereafter, 20 ml of water and 2 g of sodium carbonate were added, and the mixture was stirred at 100° C. for some minutes. The aqueous phase was subsequently separated and acidified. The precipitate that formed was dried and purified by means of column chromatography (eluent hexane/ethyl acetate 1/1) to obtain the desired product in a yield of 32percent (751 mg). C10H9Br3O; MW 256/258; 1H-NMR (CD3OD): delta 7.61 (d, J=16.1 Hz, 1H), 7.38-7.37 (m, 1H), 7.17-7.16 (m, 2H), 6.53 (d, J=16.1 Hz, 1H), 3.87 (s, 3H); 13C-NMR (CD3OD): delta 169.8, 162.3, 144.5, 138.9, 124.2, 121.4, 120.0, 113.4, 56.2
 

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