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Chemical Structure| 85290-76-2 Chemical Structure| 85290-76-2

Structure of 85290-76-2

Chemical Structure| 85290-76-2

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Product Details of [ 85290-76-2 ]

CAS No. :85290-76-2
Formula : C8H12N2O2
M.W : 168.19
SMILES Code : CCOC(=O)C1=CN(C)N=C1C
MDL No. :MFCD00233458
InChI Key :UEOAHNKIDQAFPD-UHFFFAOYSA-N
Pubchem ID :10313289

Safety of [ 85290-76-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 85290-76-2 ]

* 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 [ 85290-76-2 ]

[ 85290-76-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 85290-78-4 ]
  • [ 74-88-4 ]
  • [ 85290-77-3 ]
  • [ 85290-76-2 ]
  • 2
  • [ 85290-78-4 ]
  • [ 77-78-1 ]
  • [ 85290-76-2 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate; In toluene; at 20 - 50℃; General procedure: Ethyl 1H-pyrazole-4-carboxylate (3a-b, 0.5 mol) and NaHCO3 (0.6 mol) were dissolved in toluene (120 mL). (CH3)2SO4 (0.24 mol) was dropped gradually into the solution while the temperature was maintained at 20 C-30 C via an ice-water bath. Then, the solution reacted at a temperature of 50 C with a water bath and was monitored by TLC. Once the reaction was complete, the reaction solution was filtered. A light-yellow solution was then obtained and washed with ice water. The upper toluene solution was concentrated in vacuo to produce ethyl 1-methyl-1H-pyrazole-4-carboxylate (4a-b). Subsequently, sodium hydroxide solution (0.12 mol NaOH dissolved in 45 mL water) was added toa solution of Compounds 4a-b (0.1 mol) in EtOH (95%, 50 mL) and then reacted at room temperature for approximately 2 h. The solution was concentrated in vacuo to remove most of the ethanol.The pH level was then adjusted to 3-4 with HCl. The reaction mixture was filtered, and the filtrate was recrystallized with ethyl acetate to produce pyrazole acids (5a-b) as light-yellow crystalline solids.
 

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