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Chemical Structure| 77629-96-0 Chemical Structure| 77629-96-0

Structure of 77629-96-0

Chemical Structure| 77629-96-0

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Product Details of [ 77629-96-0 ]

CAS No. :77629-96-0
Formula : C8H14Br2O2
M.W : 302.00
SMILES Code : O=C(OC(C)(C)C)C(Br)CCBr

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Application In Synthesis of [ 77629-96-0 ]

* 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 [ 77629-96-0 ]

[ 77629-96-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 14847-51-9 ]
  • [ 77629-96-0 ]
  • tert-butyl 4-bromo-2-(2-bromo-5-methylphenoxy)butanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;Molecular sieve; In a 250 mL round bottomed flask with stir bar, ferf-butyl 2,4-dibromobutanoate (12.4 mL, 64.1 mmol), 2-bromo-5-methylphenoi (10.0 g, 53 5 mmol), and potassium carbonate (9.8 g, 70.8 mmol) were added. Molecular sieves were added to the flask. DMF (100 mL) was then added to the flask and the reaction was allowed to stir at room temperature until completion. The reaction was filtered and then diluted with 300 mL of heptanes and washed with water (100 mL) and brine (2 x 100 mL). The organic layer was then dried over anhydrous magnesium sulfate and concentrated in vacuo to yield a yellow oil as the crude product. The aqueous layer was then extracted with ethyl acetate (3 x 50 mL), dried over anhydrous magnesium sulfate, and concentrated in vacuo to yield a clear oil as a crude product. Both crude products were combined and purified together. The crude product was diluted with heptanes and purified silica gei column (EtOAC/heptane, 0% isocractic, then 0- 10%) to afford ferf-butyi 4-bromo-2-(2-bromo-5-methylphenoxy)butanoate as a clear oil: Condition 4, LCMS: m/z 426.1 [M+16f, 3.25 min. H NMR (400 MHz, Methylene Chloride-*) d 7.44 (d, J = 8.Q Hz, 1 H), 8.75 (ddd, J = 8.Q, 1 .9, Q.7 Hz, 1 H), 6.84 (d, J = 1 .6 Hz, 1 H), 4.75 (del, J = 8.9, 3.9 Hz, 1 H), 3.83 - 3.64 (m, 2H), 2.66 - 2.48 (m, 2H), 2.32 (s, 3H), 1 .49 (s, 9H).
 

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