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Chemical Structure| 1231191-82-4 Chemical Structure| 1231191-82-4

Structure of 1231191-82-4

Chemical Structure| 1231191-82-4

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Product Details of [ 1231191-82-4 ]

CAS No. :1231191-82-4
Formula : C10H9BrN2O2
M.W : 269.10
SMILES Code : CC1=NC(C2=CC=C(Br)C(OC)=C2)=NO1
MDL No. :MFCD17926242

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Application In Synthesis of [ 1231191-82-4 ]

* 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 [ 1231191-82-4 ]

[ 1231191-82-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 120315-65-3 ]
  • [ 121-44-8 ]
  • [ 1231191-82-4 ]
YieldReaction ConditionsOperation in experiment
With hydroxylamine hydrochloride; In ethanol; at 80℃; for 2.5h; The mixture of <strong>[120315-65-3]4-bromo-3-methoxybenzonitrile</strong> (800 mg, 3.77 mmol), hydroxylamine hydrochloride (524 mg, 7.55 mmol) and Et3N (1.05 mL, 7.55 mmol) in EtOH (13 mL) was heated at 800C for 2.5h. The mixture was cooled to ambient temperature, poured into water and extracted with EtOAc. The organic layers were washed with water. The combined organics were dried, filtered and solvent reduced by rotovap. The residue from step 1 was dissolved in Ac2O (7.1 mL, 75 mmol) and heated to 1200C overnight. The reaction mixture was cooled and water was added and the mixture was extracted with EtOAc. The combined organic fractions were washed with sat. aq. NaHCO3, dried, filtered and the solvent was evaporated under reduced pressure. The residue was purified by column chromatography on silica gel (0-40 percent EtOAc in Hex) to afford 3 -(4-bromo-3-methoxyphenyI)-5 -methyl- 1,2,4-oxadiazole (600 mg). 1H NMR (600 MHZ, CDCl3) delta 7.62 (d, J= 8.4 Hz, 1H), 7.53 (m, 2H), 3.95 (s, 3H)5 2.64 (s, 3H). MS calculated 269.0 (MH4), exp 268.9 (MH+).
 

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