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Structure of 1257296-40-4

Chemical Structure| 1257296-40-4

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Product Details of [ 1257296-40-4 ]

CAS No. :1257296-40-4
Formula : C12H13BrN2O2
M.W : 297.15
SMILES Code : O=C(N1N=C(Br)C2=C1C=CC=C2)OC(C)(C)C
MDL No. :MFCD22380231
InChI Key :VQCLLOZSXYTLKF-UHFFFAOYSA-N
Pubchem ID :57506738

Safety of [ 1257296-40-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1257296-40-4 ]

* 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 [ 1257296-40-4 ]

[ 1257296-40-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 850568-54-6 ]
  • [ 1257296-40-4 ]
  • [ 1392808-94-4 ]
YieldReaction ConditionsOperation in experiment
With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; water; at 100℃;Inert atmosphere; Example 104-(l -(2-(trifluoromethyl)benzoyl)-7H-indazol-3-yl)benzoic acidi) To a mixture of tert-butyl 3-bromo-iH-indazole-l-carboxylate (5 g, 16.83 mmol,) and 4- (tert-butoxycarbonyl)phenylboronic acid (4.52 g, 20.36 mmol) in 30 ml of dioxane and 30 ml water was added sodium carbonate (50.5 mmol, 5.35 g). The mixture was purged with N2 and subsequently, Pd(PPh3)4 (0.486 g , 0.421 mmol) was added. The reaction mixture was heated to 100°C overnight under a nitrogen atmosphere.After cooling to room temperature, the reaction mixture was diluted with water and the product was extracted into ethyl acetate. The combined organic layers were washed with water, brine and dried over magnesium sulfate. After filtration, the solvent was removed under reduced pressure and the residue was purified on Si02, using 0percent to 25 percent ethylacetate in heptane as the eluent, to give tert-butyl 4-(7H-indazol-3-yl)benzoate as a yellow solid.
With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; water; at 100℃;Inert atmosphere; To a mixture of tert-butyl 3-bromo-1H-indazole-1-carboxylate (5 g, 16.83 mmol,) and <strong>[850568-54-6]4-(tert-butoxycarbonyl)phenylboronic acid</strong> (4.52 g, 20.36 mmol) in 30 ml of dioxane and 30 ml water was added sodium carbonate (50.5 mmol, 5.35 g).The mixture was purged with N2 and subsequently, Pd(PPh3)4 (0.486 g , 0.421 mmol) was added.The reaction mixture was heated to 100°C overnight under a nitrogen atmosphere.After cooling to room temperature, the reaction mixture was diluted with water and the product was extracted into ethyl acetate.The combined organic layers were washed with water, brine and dried over magnesium sulfate.After filtration, the solvent was removed under reduced pressure and the residue was purified on SiO2, using 0percent to 25 percent ethylacetate in heptane as the eluent, to give tert-butyl 4-(1H-indazol-3-yl)benzoate as a yellow solid.
 

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