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Chemical Structure| 155377-19-8 Chemical Structure| 155377-19-8
Chemical Structure| 155377-19-8

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Product Details of Ethyl 3-trifluoromethylpyrazole-4-carboxylate

CAS No. :155377-19-8
Formula : C7H7F3N2O2
M.W : 208.14
SMILES Code : O=C(C1=CNN=C1C(F)(F)F)OCC
MDL No. :MFCD00052083
InChI Key :VYXIHSAEOXPAEY-UHFFFAOYSA-N
Pubchem ID :596095

Safety of Ethyl 3-trifluoromethylpyrazole-4-carboxylate

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

Application In Synthesis of Ethyl 3-trifluoromethylpyrazole-4-carboxylate

* 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 [ 155377-19-8 ]

[ 155377-19-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 558-42-9 ]
  • [ 155377-19-8 ]
  • ethyl 1-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ No CAS ]
  • ethyl 1-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
69%; 5% With potassium carbonate; In N,N-dimethyl acetamide; at 80℃; for 10h; To a stirred solution of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (2.5 ml, 2.4 mmol) in N,N-dimethylacetamide (3.0 ml, 32 mmol) was added potassium carbonate (766 mg, 65 percent purity, 3.60 mmol) and 1-chloro-2-methylpropan-2-ol (490 mI, 4.8 mmol) and the mixture was stirred at 80° C for 10 h. Water was added, and the mixture was extracted with ethyl acetate. The organic phase was washed with a saturated sodium chloride solution, dried (sodium sulfate), filtered and the solvent was removed in vacuum. Silicagel chromatography gave 470 mg (69 percent yield) of the title compound and 33.0 mg (5 percent yield) of a second isomer, Intermediate 34. LC-MS (Method 1 ): Rt = 1 .04 min; MS (ESIpos): m/z = 281 [M+H]+ 1H-NMR (400 MHz, DMSO-d6) d [ppm]: 1 .07 (s, 6 H), 1 .27 (t, 3 H), 4.14 (s, 2 H), 4.19 - 4.30 (m, 2 H), 4.85 (s, 1H), 8.37 (d, 1H).
 

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