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Chemical Structure| 128648-60-2 Chemical Structure| 128648-60-2

Structure of 128648-60-2

Chemical Structure| 128648-60-2

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Product Details of [ 128648-60-2 ]

CAS No. :128648-60-2
Formula : C6H8F3NO2
M.W : 183.13
SMILES Code : O=C(/C=C(N)/OCC)C(F)(F)F
MDL No. :MFCD09064934

Safety of [ 128648-60-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 128648-60-2 ]

* 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 [ 128648-60-2 ]

[ 128648-60-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 128648-60-2 ]
  • [ 852443-61-9 ]
YieldReaction ConditionsOperation in experiment
With hydrazine hydrochloride; triethylamine; In ethanol; for 16h;Reflux; To a solution of (E)-4-amino-4-ethoxy-1,1,1-trifluorobut-3-en--2-one, (Compound [XXIV) (7.0Og, 38.2 mmol, 1.0 eq.) in ethanol (150 mL) in a 250 mL round bottom flask was added hydrazine hydrochloride (2.75 g, 40.16 mmol, 1.05 eq.) followed by triethylamine (4.05g, 40.16 mmol, 1.05 eq.). The reaction mixture was heated to reflux for 16 hours. After cooling and concentration, the residue was purified by silica gel chromatography using CHCl3- MeOH(10%) as the eluant to give Compound [XXV]: LCMS m/e 152 (M+H); 1H NMR (400 MHz, DMSO-d6) delta ppm 5.32 (s, 2 H) 5.51 (s, 1 H) 12.12 (br. s, 1 H)
  • 2
  • [ 128648-60-2 ]
  • [ 6971-45-5 ]
  • 1-(2-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
24% With triethylamine; In ethanol; at 90℃; for 24h;Inert atmosphere; Step A: Preparation of N-Substituted l-(2-methoxyphenyl)-3-(trifluoromethyl)-lH- pyrazol-5-amine [0210] (E)-4-Amino-4-ethoxy-l,l,l-trifluorobut-3-en-2-one (2.516 g,13.74 mmol) and 2- methoxyphenylhydrazine hydrochloride (2.0 g,l 1.5mmol) were dissolved in ethanol under nitrogen, and triethylamine (1.845 g, 18.23 mmol) was added. This mixture was heated to 90 C for 1 day, then allowed to cool and concentrated to provide an oil. Ethyl acetate was added to the oil and the resulting white solid was collected by filtration. The filtrate was concentrated onto silca gel and chromatographed on silica gel, eluting with a gradient of 5-50% ethyl acetate in hexanes to provide the product as an orange-brown oil (0.7 g, 24% yield).
 

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