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Structure of 952674-76-9

Chemical Structure| 952674-76-9

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Product Details of [ 952674-76-9 ]

CAS No. :952674-76-9
Formula : C8H13N3O2
M.W : 183.21
SMILES Code : O=C(OC(C)(C)C)NC1=NNC=C1
MDL No. :MFCD14635783
Boiling Point : No data available
InChI Key :RZIAELOQCATLDL-UHFFFAOYSA-N
Pubchem ID :57937381

Safety of [ 952674-76-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H320-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 952674-76-9 ]

* 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 [ 952674-76-9 ]

[ 952674-76-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 24424-99-5 ]
  • [ 1225387-53-0 ]
  • [ 952674-76-9 ]
YieldReaction ConditionsOperation in experiment
Treatment of commercially available aminopyrazole 1 with di-tert-butyl-dicarbonate affords compound 2. Oxidation of 2 with dibenzoyl peroxide and KOH (U.S. Pat. No. 4,945,166) produces 1-hydroxypyrazole 3. Reaction of 3 with methyl iodide and N,N-diisopropylethylamine gives 1-methoxypyrazole 4 (J. Org. Chem. 1995, 60, 4995). Nitrosation of 4 with isoamyl nitrite produces the nitroso compound 5. Hydrogenation of 5 with Pd/C under hydrogen gives compound 6. Deprotection of 6 with 2N-HCl in 1,4-dioxane results in the formation of 2-Methoxy-2H-pyrazole-3,4-diamine 7.
  • 2
  • [ 952674-76-9 ]
  • [ 1057000-48-2 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide; dibenzoyl peroxide; Treatment of commercially available aminopyrazole 1 with di-tert-butyl-dicarbonate affords compound 2. Oxidation of 2 with dibenzoyl peroxide and KOH (U.S. Pat. No. 4,945,166) produces 1-hydroxypyrazole 3. Reaction of 3 with methyl iodide and N,N-diisopropylethylamine gives 1-methoxypyrazole 4 (J. Org. Chem. 1995, 60, 4995). Nitrosation of 4 with isoamyl nitrite produces the nitroso compound 5. Hydrogenation of 5 with Pd/C under hydrogen gives compound 6. Deprotection of 6 with 2N-HCl in 1,4-dioxane results in the formation of 2-Methoxy-2H-pyrazole-3,4-diamine 7.
 

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