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Chemical Structure| 1204298-65-6 Chemical Structure| 1204298-65-6

Structure of 1204298-65-6

Chemical Structure| 1204298-65-6

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CAS No.: 1204298-65-6

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Product Details of [ 1204298-65-6 ]

CAS No. :1204298-65-6
Formula : C6H6F2N2O2
M.W : 176.12
SMILES Code : O=C(C1=C(C(F)F)N(C)N=C1)O
MDL No. :MFCD12827721
InChI Key :CTTXMUZEFPPHGD-UHFFFAOYSA-N
Pubchem ID :50989016

Safety of [ 1204298-65-6 ]

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

Application In Synthesis of [ 1204298-65-6 ]

* 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 [ 1204298-65-6 ]

[ 1204298-65-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1550-50-1 ]
  • [ 34846-90-7 ]
  • [ 60-34-4 ]
  • [ 176969-34-9 ]
  • [ 1204298-65-6 ]
YieldReaction ConditionsOperation in experiment
To a solution of 1,1,2,2-tetrafluoroethyldimethylamine (30 g, 207 mmol) in diethyl ether (90 ml) and dioxane (90 ml) was added dropwise, under a nitrogen atmosphere, at a temperature of from 0 to 5° C., a solution of BF3-etherate (49percent BF3, 59.6 ml, 420 mmol). After the addition had ended, the reaction mixture was stirred for 5 min. Subsequently, pyridine (15.9 g, 201 mmol) and methyl 3-methoxyacrylate (22.3 g, 186 mmol) were successively added dropwise to the reaction mixture at a temperature of from 0 to 5° C. After stirring for 6 hours, a greasy solid formed, from which the supernatant solution was decanted off and discarded. The solid was then added at a temperature of from 0 to 5° C. to a mixture of sodium hydroxide (41.4 g, 1.035 mol) and methylhydrazine (38.6 g of a 35percent aqueous solution, 288 mmol) in water (665 ml) and then stirred at room temperature for 1 h. Subsequently, the reaction mixture was heated to 60° C. and stirred at this temperature for 0.5 h. The reaction mixture was freed of volatile constituents. The resulting residue was taken up in water (50 ml), washed with ethyl acetate and then brought to a pH of 2 with conc. hydrochloric acid. The solid precipitated at a temperature of 0° C. was isolated by filtration, washed with a little ice-cold water and dried under reduced pressure at a temperature of 40° C. 3-Difluoro-methyl-1-methylpyrazole-4-carboxylic acid was obtained as a mixture with 5-difluoro-methyl-1-methylpyrazole-4-carboxylic acid with a ratio of 85:15 in an amount of 10.1 g.
 

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