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Chemical Structure| 885521-88-0 Chemical Structure| 885521-88-0

Structure of 885521-88-0

Chemical Structure| 885521-88-0

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Product Details of [ 885521-88-0 ]

CAS No. :885521-88-0
Formula : C7H4BrIN2
M.W : 322.93
SMILES Code : IC1=NNC2=C1C=CC(Br)=C2
MDL No. :MFCD07781599
InChI Key :POXUFQBYDQCUFO-UHFFFAOYSA-N
Pubchem ID :24728212

Safety of [ 885521-88-0 ]

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

Application In Synthesis of [ 885521-88-0 ]

* 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 [ 885521-88-0 ]

[ 885521-88-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 885521-88-0 ]
  • [ 1151802-22-0 ]
  • 6-bromo-3-(1-cyclopropyl-1H-pyrazol-4-yl)-1H-indazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% To a resealable vial was added 77 K2CO3 (1.71g, 12.4mmol), 182 6-bromo-3-iodo-1H-indazole (2g, 6.2mmol), 41-183 <strong>[1151802-22-0]cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole</strong>(1.45g, 6.2mmol). The vial was sealed and evacuated and purged with Ar for 5min before addition of PdCl2(dppf)-CH2Cl2 Adduct (253mg, 0.310mmol), dissolved in 79 1,4-dioxane/80 water (10mL, 4:1, v/v) was then added to this solution before the vial was heated to 80C overnight. The reaction was cooled to room temperature, which was then brought to basic using 81 aqueous sodium bicarbonate solution and extracted with ethyl acetate. The resulting mixture was concentrated to give the crude product, which was purified by silica gel column chromatography. The resulting mixture was concentrated to give the crude 184 product, which was purified by silica gel column chromatography. Pale yellow solid(1.2g, 64%). 1H NMR (400MHz, Chloroform-d) delta 8.04 (s, 1H), 7.99 (s, 1H), 7.70 (d, J=8.6Hz, 1H), 7.52 (d, J=1.5Hz, 1H), 7.27 (dd, J=8.8, 1.4Hz, 1H), 3.71 (tt, J=7.4, 3.8Hz, 1H), 1.25-1.18 (m, 2H), 1.13-1.03 (m, 2H). LRMS m/z: 303 ([M+H] +).
  • 2
  • [ 885521-88-0 ]
  • [ 568577-88-8 ]
  • 4-methyl-3-(3-(4-morpholinophenyl)-1H-indazol-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide [ No CAS ]
  • 3
  • [ 885521-88-0 ]
  • [ 568577-88-8 ]
  • C17H16BrN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a resealable vial was added 77 K2CO3 (1.71g, 12.4mmol), 182 6-bromo-3-iodo-1H-indazole (2g, 6.2mmol), 41-183 cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1.45g, 6.2mmol). The vial was sealed and evacuated and purged with Ar for 5min before addition of PdCl2(dppf)-CH2Cl2 Adduct (253mg, 0.310mmol), dissolved in 79 1,4-dioxane/80 water (10mL, 4:1, v/v) was then added to this solution before the vial was heated to 80C overnight. The reaction was cooled to room temperature, which was then brought to basic using 81 aqueous sodium bicarbonate solution and extracted with ethyl acetate. The resulting mixture was concentrated to give the crude product, which was purified by silica gel column chromatography. The resulting mixture was concentrated to give the crude 184 product, which was purified by silica gel column chromatography.
 

Historical Records

Technical Information

Categories

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