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Chemical Structure| 96259-44-8 Chemical Structure| 96259-44-8

Structure of 96259-44-8

Chemical Structure| 96259-44-8

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Product Details of [ 96259-44-8 ]

CAS No. :96259-44-8
Formula : C6H8N4O2
M.W : 168.15
SMILES Code : O=C(C1=C(N)N=CN=N1)OCC

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Application In Synthesis of [ 96259-44-8 ]

* 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 [ 96259-44-8 ]

[ 96259-44-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 23357-46-2 ]
  • [ 96259-44-8 ]
  • ethyl 5-amino-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-ylamino]-1,2,4-triazine-6-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
73% 0.759 g (3.081 mmol) of meta-chloroperbenzoic acid dissolved in 20 ml of trichloromethane was added dropwise to a solution of 0.300 g (1.400 mmol) of ethyl 5-amino-3-(methylsulfanyl)-1,2,4-triazine-6-carboxylate in 20 ml of trichloromethane. The mixture was stirred at 0 C. for 1 h, and 0.543 g (4.201 mmol) of N,N-diisopropylethylamine and 0.309 g (2.100 mmol) of (1R)-1,2,3,4-tetrahydronaphthalene-1-amine dissolved in 2 ml trichloromethane were added in succession. The mixture was stirred at 50 C. for 2 h, water and dichloromethane were added and the aqueous phase was extracted twice with dichloromethane. The combined organic phases were dried over sodium sulfate, the solvent was then removed under reduced pressure and the residue was taken up in acetonitrile. The insoluble residue (3-chlorobenzoic acid) was filtered off and the solvent was then removed under reduced pressure, giving, after purification of the residue by chromatography [start: ethyl acetate/n-heptane (5:95), over 60 min to ethyl acetate/n-heptane (45:55)], 0.338 g (73%) of ethyl 5-amino-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-ylamino]-1,2,4-triazine-6-carboxylate
 

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