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Chemical Structure| 101986-68-9 Chemical Structure| 101986-68-9

Structure of 101986-68-9

Chemical Structure| 101986-68-9

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Product Details of [ 101986-68-9 ]

CAS No. :101986-68-9
Formula : C12H11N3O
M.W : 213.24
SMILES Code : CC(NC1=CC=C(C2=NC=CN=C2)C=C1)=O

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* 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 [ 101986-68-9 ]

[ 101986-68-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 14508-49-7 ]
  • [ 214360-60-8 ]
  • [ 101986-68-9 ]
YieldReaction ConditionsOperation in experiment
47% A similar procedure22 to that previously described for the preparation of 98 was followed using 4acetamidophenylboronic acid pinacol ester (91) (0.10 g, 0.38 mmol), chloropyrazine (97) (0.041 mL, 0.46 mmol), sodium hydrogen carbonate (97 mg, 1.15 mmol) and bis(triphenylphosphine)palladium(II) chloride (14 mg, 0.02 mmol) in toluene (2 mL), ethanol (1 mL) and water (0.5 mL). Purification by flash chromatography (hexane:ethyl acetate 1:1) afforded 103 as a pale brown solid (38 mg, 0.18 mmol, 47%). Rf = 0.20 (hexane:ethyl acetate, 1:1); mp 179-183 C; 1H NMR (400MHz; CDCl3) deltaH 2.21 (3H, s, CH3), 7.69 (2H, d, J = 9.0 Hz, H-3', H-5'), 7.81 (1H, s, NH), 7.99 (2H, d, J = 9.0 Hz, H-2', H-6'), 8.47 (1H, s, PyrH), 8.60 (1H, s, PyrH) and 9.00 (1H, s, PyrH); 13C NMR (100MHz, CDCl3) deltaC 24.7 (CH3), 119.9 (CH), 127.6 (CH), 132.1 (C), 139.7 (C), 141.8 (CH), 142.5 (CH), 144.1 (CH), 152.2 (C) and 168.6 (C); IR (numax/cm-1) 828, 1015, 1116, 1369 (C-N), 1468, 1535, 1556, 1600 (N-H), 1668 (C=O), 3049 and 3307 (N-H); MS (ESI, 70 eV) m/z 236 (MNa+, 100%); Found (MNa+, 236.0797), C12H11N3NaO requires 236.0794.
 

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