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Chemical Structure| 78157-26-3 Chemical Structure| 78157-26-3

Structure of 78157-26-3

Chemical Structure| 78157-26-3

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Product Details of [ 78157-26-3 ]

CAS No. :78157-26-3
Formula : C9H7N3O
M.W : 173.17
SMILES Code : O=C1C=CC(C2=CC=NC=C2)=NN1
MDL No. :MFCD00205154
InChI Key :LPRDIYKZZIDTPV-UHFFFAOYSA-N
Pubchem ID :2727612

Safety of [ 78157-26-3 ]

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

Application In Synthesis of [ 78157-26-3 ]

* 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 [ 78157-26-3 ]

[ 78157-26-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 78157-26-3 ]
  • [ 60076-09-7 ]
  • C16H12IN3O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate; In N,N-dimethyl-formamide; for 3h;Heating; General procedure: A dried vial was charged with 3, 6-dichloropyridazine (148 mg,1.0 mmol), corresponding boronic acids or esters (1.2 mmol) was added Pd(dppf)2Cl2 (82 mg, 0.1 mmol), K2CO3 (276 mg, 2.0 mmol), and then 1, 4-dioxane (5 mL) and H2O (1 mL) was added under nitrogen atmosphere. The resulting suspension was stirred at 90 C for overnight. The solution was concentrated under reduced pressure,and then the residue was added to 6N HCl solution and stirred at 80 C for overnight. The solution was concentrated under reduced pressure and the residue was purified by column chromatography on silica gel to afford the title compound 11. To a solution of 11 (0.5 mmol) in DMF (10 mL) was added Cs2CO3 (180 mg, 0.55 mmol) and <strong>[60076-09-7]1-(chloromethyl)-3-iodobenzene</strong> (131 mg, 0.52 mmol). The resulting reaction mixture was stirred at 40-50 C for 3 h, the solvent was removed under reduced pressure and the residue was dissolved in EtOAc (30 mL), washed with brine (10mL 3). The organic layer was dried over anhydrous Na2SO4 and concentrated in vacuo, then the residue was purified by using column chromatography to afford the corresponding product 12. To a solution of 12 (0.26 mmol), 5-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine (54.3 mg, 0.31 mmol) in 1, 4-dioxane (15 mL)was added Pd2(dba)3 (7.3 mg, 0.008 mmol), Xantphos (5 mg,0.008 mmol) and Cs2CO3 (101 mg, 0.31 mmol) under nitrogen atmosphere. The reaction mixture was heated to 90 C with stirring overnight. The solution was concentrated under reduced pressure, and then the residue was purified by column chromatography on silica gel to afford compounds.
  • 2
  • [ 78157-26-3 ]
  • [ 60076-09-7 ]
  • 2-(3-((5-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)benzyl)-6-(pyridin-4-yl)pyridazin-3(2H)-one [ No CAS ]
 

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