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Chemical Structure| 911113-15-0 Chemical Structure| 911113-15-0

Structure of 911113-15-0

Chemical Structure| 911113-15-0

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Product Details of [ 911113-15-0 ]

CAS No. :911113-15-0
Formula : C8H4BrN3
M.W : 222.04
SMILES Code : N#CC1=CC(Br)=CN2C1=NC=C2
MDL No. :MFCD27932269
InChI Key :IORIAOWGDKQIBF-UHFFFAOYSA-N
Pubchem ID :67001173

Safety of [ 911113-15-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 911113-15-0 ]

* 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 [ 911113-15-0 ]

[ 911113-15-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 911113-15-0 ]
  • [ 628692-15-9 ]
  • [ 1611001-43-4 ]
YieldReaction ConditionsOperation in experiment
81% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate; In water; N,N-dimethyl-formamide; at 120℃; for 2h;Inert atmosphere; The compound of example 93 (5.0 g, 22.52 mmol) was treated with 2-methoxypyrimidin- 5-ylboronic acid (4.1 6 g, 27.0mmol) in DMF (25 ml) in presence of [1 , 1 '- bis(diphenylphosphino)ferrocene]dichloro palladium(l l) complex with dichloromethane (0.552 g, 0.676 mmol) and sodium carbonate (4.77 g, 45.0 mmol) solution in 5 ml_ of water according to the procedure for the preparation of the compound of example 2 to afford the title compound. Yield: 4.61 g (81 .00 percent) 1 H NMR (DMSO-d6, 300 MHz): delta 3.98 (s, 3H, OCH3), 7.99 (s, 1 H, Ar), 8.15 (s, 1 H, Ar), 8.45 (s, 1 H, Ar), 9.01 (s, 2H, Ar), 9.32 (d, 1 H, J = 1 .5 Hz, Ar); MS (ES+): m/e 252.1 (M+1 ).
 

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