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Chemical Structure| 1042152-77-1 Chemical Structure| 1042152-77-1

Structure of 1042152-77-1

Chemical Structure| 1042152-77-1

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Product Details of [ 1042152-77-1 ]

CAS No. :1042152-77-1
Formula : C12H8N4O2
M.W : 240.22
SMILES Code : O=C(C1=NN=C(C2=NC(C#N)=CC=C2)C=C1)OC

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Application In Synthesis of [ 1042152-77-1 ]

* 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 [ 1042152-77-1 ]

[ 1042152-77-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 952402-79-8 ]
  • [ 65202-50-8 ]
  • [ 1042152-77-1 ]
YieldReaction ConditionsOperation in experiment
53% With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl-formamide; at 85℃; for 16h;Inert atmosphere of argon; Methyl -chloropyridazine-S-carboxylate (S49, 34 mg, 0.19 mmol), 6-(4,4,5,5-tetramethyl-l,3,2- dioxaborolan-2-yl)picolinonitrile (45 mg, 0.19 mmol), K2CO3 (51 mg, 0.39 mmol), and (Ph3P)4Pd (34 mg, 0.029 mmol) were slurried in DMF (0.3 M). The reaction vessel was evacuated and refilled with argon three times. The mixture was warmed at 85 °C for 16 h. The reaction mixture was cooled and diluted with EtOAc, washed with 9: 1 NH4OH:saturated aqueous NH4Cl and saturated aqueous NaCl, and then dried over Na2SO4. Evaporation yielded the crude product that was purified by flash chromatography (SiO2, 1.5 x 14 cm, 20-100percent EtOAc- hexanes) to afford the title compound (25 mg, 53percent) as a white solid: 1H NMR (CDCl3, 600 MHz) 5 9.03 (d, IH, J= 8.1 Hz), 8.75 (d, IH, J= 8.7 Hz), 8.36 (d, IH, J= 8.7 Hz), 8.09 (t, IH, J = 7.9 Hz), 7.84 (d, IH, J= 7.6 Hz), 4.12 (s, 3H); 13C NMR (CDCl3, 150 MHz) delta 164.4, 158.2, 154.4, 151.7, 138.7, 133.9, 129.8, 128.7, 125.5, 125.4, 1 16.9, 53.6; HRMS-ESI-TOF m/z 241.0721 ([M+H]+, C12H8N4O2 requires 241.0720).
 

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