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Chemical Structure| 254746-41-3 Chemical Structure| 254746-41-3

Structure of 254746-41-3

Chemical Structure| 254746-41-3

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Product Details of [ 254746-41-3 ]

CAS No. :254746-41-3
Formula : C11H11BrO4
M.W : 287.11
SMILES Code : O=C(OC)C1=CC=C(Br)C(COC(C)=O)=C1
MDL No. :MFCD24873319

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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 [ 254746-41-3 ]

[ 254746-41-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 254746-41-3 ]
  • [ 790230-04-5 ]
YieldReaction ConditionsOperation in experiment
98% b) 4-bromo-3-(hydroxymethyl)benzoic acidA solution of lithium hydroxide monohydrate (2.278 g, 54.3 mmol) in water (12 mL) was added to a solution of methyl 3-(acetoxymethyl)-4-bromobenzoate (3.89 g, 13.55 mmol) in tetrahydrofuran (40 mL) and the mixture was stirred at room temperature over night. The pH was set to ~1 with hydrochloric acid (2 M). Water and ethyl acetate was added and the aqueous phase was extracted with ethyl acetate. The combined organic phases were washed with water and brine, dried over magnesium sulfate and concentrated to give 3.06 g (98% yield) of the title compound. 1H NMR (500 MHz, DMSO-J6) delta ppm 13.15 (br. s., 1 H) 8.11 (d, 1 H) 7.65 - 7.76 (m, 2 H) 5.55 - 5.69 (m, 1 H) 4.54 (d, 2 H); MS (ESI) m/z 229, 231[M-I]".
 

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