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Chemical Structure| 54004-20-5 Chemical Structure| 54004-20-5

Structure of 54004-20-5

Chemical Structure| 54004-20-5

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Product Details of [ 54004-20-5 ]

CAS No. :54004-20-5
Formula : C5H8N4O
M.W : 140.14
SMILES Code : OC1=NC(N)=NC(NC)=C1

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Application In Synthesis of [ 54004-20-5 ]

* 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 [ 54004-20-5 ]

[ 54004-20-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1194-21-4 ]
  • [ 74-89-5 ]
  • [ 54004-20-5 ]
YieldReaction ConditionsOperation in experiment
72% In water; at 120 - 130℃; for 8h; Preparation of Intermediate N-lTo a solution of Intermediate M (5g, 34.48 mmol) was added 40percent aqueous methyl amine solution (50 mL), and the resulting mixture was heated in a steel bomb at 120-130 °C (bath temperature) for 8 hours. The reaction mixture was cooled to room temperature and then concentrated to obtain a crude residue that was washed with EtOH several times to obtain pure Intermediate N-l (3.5g, 72percent). Rf = 0.6 (20percent MeOH/CHCl3/0.2 mL of aqueous NH3). 1H-NMR (400MHz, DMSO-d6) delta 9.66 (br. s, exchanged with D20, 1H), 6.25 (br. s, exchanged with D20, 1H), 6.10 (br. s, exchanged with D20, 2H), 4.36 (s, exchanged with D20, 1H), 2.61(s, 3H). Mass (APCI positive mode, m/z): 141.0 (M++l).
 

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