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Chemical Structure| 52998-22-8 Chemical Structure| 52998-22-8

Structure of 52998-22-8

Chemical Structure| 52998-22-8

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Product Details of [ 52998-22-8 ]

CAS No. :52998-22-8
Formula : C8H14N4O2
M.W : 198.22
SMILES Code : O=C(N1CC)N(CC)C(N)=C(N)C1=O
MDL No. :MFCD00091838

Safety of [ 52998-22-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H317-H319
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 52998-22-8 ]

* 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 [ 52998-22-8 ]

[ 52998-22-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1878-91-7 ]
  • [ 52998-22-8 ]
  • C16H17BrN4O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: The key starting materials, 1,3-dimethyl- or1,3-diethyl-5,6-diaminouracil, were prepared as described previously [4]. The appropriate 1,3-dialkyl-5,6-diaminouracil (5 mmol) and EDAC (6,7 mmol) were dissolved in 40 mL of dioxane/H2O (1:1). Subsequently the desired phenoxyacetic acid (5 mmol) was added and a thick suspension was obtained. Hereafter, the pH was adjusted to 3 with aqueous HCl (4 N) and the reaction turned light pink in color. Stirring was continued for 3 h at room temperature followed by neutralizing the reaction mixture with aqueous NaOH (1 N). The suspension turned white and a thick precipitate formed. The precipitate was collected via filtration and suspended in 40 mL of dioxane. Addition of 40 mL NaOH (1 N) yielded a clear colorless solution. The solution was heated under reflux for 2 h at 110-120 C and the solution became bright yellow. The reaction was cooledto room temperature and placed on ice for 15 min. At this point, the pH was 12 and was subsequently adjusted to 4 with 9mL of HCl (4 N) to yield a creamy precipitate. The corresponding 1,3-dimethyl-8-phenoxymethyl-7H-xanthinyl or 1,3-diethyl-8-phenoxymethyl-7H-xanthinyl analog was collected via filtration and left to dry overnight in the fume hood.
 

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