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Chemical Structure| 1242441-13-9 Chemical Structure| 1242441-13-9

Structure of 1242441-13-9

Chemical Structure| 1242441-13-9

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Product Details of [ 1242441-13-9 ]

CAS No. :1242441-13-9
Formula : C12H11BrN2
M.W : 263.13
SMILES Code : BrC1=CC=C(C=C1)C1=CN=C(N1)C1CC1
MDL No. :MFCD20260003

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Application In Synthesis of [ 1242441-13-9 ]

* 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 [ 1242441-13-9 ]

[ 1242441-13-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 57297-29-7 ]
  • [ 99-73-0 ]
  • [ 1242441-13-9 ]
YieldReaction ConditionsOperation in experiment
18% With sodium hydrogencarbonate; In tetrahydrofuran; water;Reflux; To a 3 -neck flask containing cyclopropylamidine HCl salt (5.99 g, 50 mmol), NaHCO3 (10 g, 119 mmol), THF (40 mL), and water (10 mL) was added the solution of 2~bromo-l-(4- bromophenyl)ethanone (15.2 g, 55 mmol) in 30 mL of THF using additoin funnel under reflux. After the addition was completed, the reaction mixture was heated at reflux overnight. THF was striped off and EtOAc was added. The mixture was washed with water and brine. The organic layer was dried and concentrated to give an oil. The crude product was purified by silica column eluting with 1:1:1 mixture of EtOAc/DCM/hexanes to afford 2.43 g (yield 18percent) of 4-(4- bromophenyl)-2-cyclopropyl-lH-imidazole. LCMS: [M+1]+ =263.
  • 2
  • [ 57297-29-7 ]
  • [ 99-73-0 ]
  • [ 1242441-13-9 ]
YieldReaction ConditionsOperation in experiment
50% With potassium carbonate; In N,N-dimethyl-formamide; at 23℃;Inert atmosphere; To a solution of 89.0 g (320 mmol) 2-bromo-1 -(4-bromophenyl)ethanone in 2.0 L N,N-dimethylformamide were added <strong>[57297-29-7]cyclopropanecarboximidamide hydrochloride</strong>, 132.8 g potassium carbonate and the mixture was stirred at 23 °C overnight. After removal of the solvent, water was added and the mixture was extracted with ethyl acetate. The organic layer was washed with brine and dried over sodium sulfate. After filtration and removal of the solvent the residue was purified by crystallisation to give 42.1 g (50percent) of the title compound
50% With potassium carbonate; In N,N-dimethyl-formamide; at 23℃;Inert atmosphere; Intermediate Example 1 e; 5-(4-Bromophenyl)-2-cyclopropyl-1 H-imidazole; To a solution of 89.0 g (320 mmol) 2-bromo-1 -(4-bromophenyl)ethanone in 2.0 L Nu,Nu-dimethylformamide were added <strong>[57297-29-7]cyclopropanecarboximidamide hydrochloride</strong>, 132.8 g potassium carbonate and the mixture was stirred at 23 °C overnight. After removal of the solvent, water was added and the mixture was extracted with ethyl acetate. The organic layer was washed with brine and dried over sodium sulfate. After filtration and removal of the solvent the residue was purified bycrystallisation to give 42.1 g (50percent) of the title compound.
 

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