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Chemical Structure| 76228-53-0 Chemical Structure| 76228-53-0

Structure of 76228-53-0

Chemical Structure| 76228-53-0

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Product Details of [ 76228-53-0 ]

CAS No. :76228-53-0
Formula : C8H6N4O2
M.W : 190.16
SMILES Code : O=[N+](C1=CN=C(N2N=CC=C2)C=C1)[O-]
InChI Key :MPAGFUQMIGVVKE-UHFFFAOYSA-N
Pubchem ID :12602751

Safety of [ 76228-53-0 ]

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 [ 76228-53-0 ]

* 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 [ 76228-53-0 ]

[ 76228-53-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 288-13-1 ]
  • [ 456-24-6 ]
  • [ 76228-53-0 ]
YieldReaction ConditionsOperation in experiment
96% With caesium carbonate; In N,N-dimethyl-formamide; at 23℃; for 20h;Inert atmosphere; Under N2 atmosphere, a solution of <strong>[456-24-6]2-fluoro-5-nitropyridine</strong> (0.71 g, 5.00 mmol, 1.00 equiv) was added to a mixture of ltf-pyrazole (0.51 g, 7.50 mmol, 1.50 equiv) and CS2CO3 (2.44 g, 7.50 mmol, 1.50 equiv) in DMF (25.0 mL, 0.300 M) and the reaction mixture was stirred at 5 23 °C for 20 h. The reaction mixture was poured to LiCl solution (100 mL) , extracted with EtOAc. The combined organic layers was dried (MgS04> , filtered and concentrated in vacuo. The residue was recrystalized from hexanes/EtOAc, to afford the title compound as a yellow solid (0.910 g, 4.78 mmol, 96percent yield). R/ = 0.77 (hexanes : EtOAc 10 5:1 (v/v) ) . FontWeight="Bold" FontSize="10" H NMR (700 MHz, (CD3)2SO, 25 °C, delta) : 9.29 (br. s., 1H) , 8.75 (d, J = 8.17 Hz, 1H) , 8.73-8.71 (m, 1H) , 8.12 (d, J = 9.04 Hz, 1H), 7.99-7.98 (m, 1H) , 6.72-6.70 (m, 1H) . 13C NMR (175 MHz, (CD3)2SO, 25 °C, delta) : 153.7, 145.0, 144.4, 142.3, 135.3, 128.5, 112.2, 110.0.
 

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