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Chemical Structure| 3920-42-1 Chemical Structure| 3920-42-1

Structure of 3920-42-1

Chemical Structure| 3920-42-1

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Product Details of [ 3920-42-1 ]

CAS No. :3920-42-1
Formula : C5H7N3O2
M.W : 141.13
SMILES Code : O=[N+](C1=C(C)N(C)N=C1)[O-]
MDL No. :MFCD00222735
InChI Key :NYTRTJLAGHYGLE-UHFFFAOYSA-N
Pubchem ID :544647

Safety of [ 3920-42-1 ]

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 [ 3920-42-1 ]

* 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 [ 3920-42-1 ]

[ 3920-42-1 ] Synthesis Path-Downstream   1~4

  • 2
  • [ 3920-38-5 ]
  • [ 3920-42-1 ]
  • [ 74-88-4 ]
  • 1,2,3-trimethyl-4-nitro-pyrazolium; iodide [ No CAS ]
  • 3
  • [ 5334-39-4 ]
  • [ 74-88-4 ]
  • [ 3920-38-5 ]
  • [ 3920-42-1 ]
YieldReaction ConditionsOperation in experiment
With hydrogen; sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 27℃; for 4.0h; To a stirred suspension of sodium hydride (4.9 g, 60% in mineral oil, 20.74 mmol) in THF (100 mL), 3-rnethyl-4-nitro-IH-pyrazole 48 (10.0 g, 7.8 mmol) and iodomethane (21.0 g, 14.7 mmol) were charged at 0C. Hydrogen gas evolved. The mixture was then stirred at room temperature for 4h. The reaction mixture was diluted with water (100 mL) and extracted with EtOAc (3 x 150 mL). The combined organic phase was separated, washed with water, dried over Na2SO4, concentrated in vacuum to give an inseparable mixture of 1,3-dimethyl-4-nitro-1H-pyrazole 49-a and 1,5-dimethyl- 4-nitro-1H-pyrazole 49-b (5.70 g, 78% yield) that was carried to the next step without further purification. ?HNMR (400 MHz, CDCl3): delta 8.04 (s, 1H), 3.84 (s, 3H), 2.52 (s, 3H).
  • 4
  • [ 5334-39-4 ]
  • [ 74-88-4 ]
  • alkaline solution [ No CAS ]
  • [ 3920-38-5 ]
  • [ 3920-42-1 ]
 

Historical Records

Categories

Related Functional Groups of
[ 3920-42-1 ]

Nitroes

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Related Parent Nucleus of
[ 3920-42-1 ]

Pyrazoles

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Chemical Structure| 882236-15-9

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1-(Difluoromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole

Similarity: 0.88