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Chemical Structure| 251658-55-6 Chemical Structure| 251658-55-6

Structure of 251658-55-6

Chemical Structure| 251658-55-6

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Product Details of [ 251658-55-6 ]

CAS No. :251658-55-6
Formula : C13H16N4O2
M.W : 260.29
SMILES Code : NC1=CC(C(C)(C)C)=NN1C2=CC=C([N+]([O-])=O)C=C2
MDL No. :MFCD04115074

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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 [ 251658-55-6 ]

[ 251658-55-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 102877-78-1 ]
  • [ 530-62-1 ]
  • [ 251658-55-6 ]
  • [ 869663-79-6 ]
YieldReaction ConditionsOperation in experiment
68% Preparation of 1-15-ted-butvl-2-(4-nitro-Dhenvl)-2H-Dvrazol-3-Vll-3-14-(Dvridin-4-vloxv)- phenyl] -urea [0181] To a solution of 5-tert-butyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine (5.0 g, 19.2 mmol) in anhydrous DCE (2 mL) was added CDI (3.5 g, 21.1 mmol), and the reaction was stirred under N2 at room temperature for 18 h. 4-(Pyridin-4- yloxy) phenylamine (3.3 g, 17.7 mmol, Dumas et al., U. S. pat. appl. US2002065296 (2002) ) in DCE (12 mL) was added to the reaction, and the solution was stirred under N2 at room temperature for 7 h. The reaction mixture was partitioned between EtOAc (100 mL) and water (100 mL). The organic layer was washed with brine, dried over Na2S04, and concentrated at reduced pressure. The crude residue was purified by MPLC (1:1 hexanes/EtOAc) to give 5.6 g (68%) of the desired product. (at)H-NMR (DMSO-d6) No. 9.21 (s, 1 H), 8.68 (s, 1 H), 8.43 (d, J = 6.3 Hz, 2H), 8.36 (d, J = 7.2 Hz, 2H), 7.90 (d, J = 6.9 Hz, 2H), 7.50 (d, J = 6.9 Hz, 2H), 7.09 (d, J = 6.6 Hz, 2H), 6.86 (d, J = 5.7 Hz, 2H), 6.44 (s, 1 H), 1.29 (s, 9H) ; MS LC-MS [M+H] + = 473, RT = 2.60 min.
 

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