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Chemical Structure| 84406-63-3 Chemical Structure| 84406-63-3

Structure of 84406-63-3

Chemical Structure| 84406-63-3

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Product Details of [ 84406-63-3 ]

CAS No. :84406-63-3
Formula : C2H2N4O2
M.W : 114.06
SMILES Code : O=[N+](C1=NNN=C1)[O-]
MDL No. :MFCD03035233
InChI Key :YXFWFUSVDJIVIV-UHFFFAOYSA-N
Pubchem ID :278150

Safety of [ 84406-63-3 ]

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 [ 84406-63-3 ]

* 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 [ 84406-63-3 ]

[ 84406-63-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 10226-29-6 ]
  • [ 84406-63-3 ]
  • [ 1161774-90-8 ]
YieldReaction ConditionsOperation in experiment
In a flame dried round-bottomed flask equipped with a magnetic stir bar and under inert atmosphere (N2), a suspension of 4-nitro-2H-[1 ,2,3]triazole (1 14 mg, 1.00 mmol) in DMF (1.0 mL) was treated with DIPEA (0.34 mL, 2.00 mmol). After 30 min, a solution of 6- bromo-hexan-2-one (179 mg, 1.00 mmol) in DMF (1.0 mL) was added and the reaction mixture was stirred for 24 h at 50 0C. Water (10 mL), followed by EA (10 mL) were added. The aq. layer was extracted with EA (10 mL) and the combined org. extracts were dried over Na2SO4, filtered, and the solvents were removed under reduced pressure. Purification of the residue by FC (2:1 hept-EA) gave the title compound as a yellow oil: TLC: rf (2:1 hept-EA) = 0.26. LC-MS-conditions 02: tR = 0.86 min.
 

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Related Functional Groups of
[ 84406-63-3 ]

Nitroes

Chemical Structure| 14544-45-7

A234930 [14544-45-7]

5-Nitro-1H-1,2,3-triazole

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Related Parent Nucleus of
[ 84406-63-3 ]

Triazoles

Chemical Structure| 14544-45-7

A234930 [14544-45-7]

5-Nitro-1H-1,2,3-triazole

Similarity: 1.00