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Chemical Structure| 25016-20-0

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Product Details of 1-Methyl-1H-pyrazole-3-carboxylic acid

CAS No. :25016-20-0
Formula : C5H6N2O2
M.W : 126.11
SMILES Code : O=C(C1=NN(C)C=C1)O
MDL No. :MFCD00464254
InChI Key :YBFIKNNFQIBIQZ-UHFFFAOYSA-N
Pubchem ID :573176

Safety of 1-Methyl-1H-pyrazole-3-carboxylic acid

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

Application In Synthesis of 1-Methyl-1H-pyrazole-3-carboxylic acid

* 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.

  • Upstream synthesis route of [ 25016-20-0 ]
  • Downstream synthetic route of [ 25016-20-0 ]

[ 25016-20-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 25016-20-0 ]
  • [ 27258-32-8 ]
YieldReaction ConditionsOperation in experiment
63%
Stage #1: for 2 h; Heating / reflux
Stage #2: With hydrogen In toluene for 8 h; Heating / reflux
A suspension of the acid (90 g, 0.71 mol) and DMF (1 drop) in thionyl chloride (250 mL) was stirred at reflux under nitrogen for 2 h. The solvent was evaporated from the reaction mixture, the residue azeotroped with toluene (3X200 mL), diluted into toluene (250 mL), added to a suspension OF PD-C (10 wtpercent, 9.3 g) in toluene (500 mL), and the mixture stirred at reflux for 8 h with a gentle flow of hydrogen gas through the suspension. After cooling to room temperature, the suspension was filtered through celite, washed with toluene, and concentrated in vacuo. The residue was fractionally distilled under vacuum to provide the title compound (50 g, 63percent) as a low melting white solid (bp = 92 °C COMMAT; 8 mmHg)
References: [1] Patent: WO2004/58702, 2004, A2, . Location in patent: Page 31; 24.
  • 2
  • [ 25016-20-0 ]
  • [ 84547-86-4 ]
References: [1] J. Gen. Chem. USSR (Engl. Transl.), 1982, vol. 52, # 11, p. 2291 - 2296[2] Zhurnal Obshchei Khimii, 1982, vol. 52, # 11, p. 2592 - 2598.
 

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