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Chemical Structure| 1272972-31-2 Chemical Structure| 1272972-31-2

Structure of 1272972-31-2

Chemical Structure| 1272972-31-2

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Product Details of [ 1272972-31-2 ]

CAS No. :1272972-31-2
Formula : C2H3F3N2O
M.W : 128.05
SMILES Code : N/C(C(F)(F)F)=N\O
MDL No. :MFCD18447681

Safety of [ 1272972-31-2 ]

GHS Pictogram:
Signal Word:N/A
Hazard Statements:N/A
Precautionary Statements:N/A

Application In Synthesis of [ 1272972-31-2 ]

* 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 [ 1272972-31-2 ]

[ 1272972-31-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1211526-53-2 ]
  • [ 1272972-31-2 ]
  • 6-tert-butyl 2-methyl 6-azaspiro[3 .4]octane-2,6-dicarboxylate [ No CAS ]
  • tert-butyl 6-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-2-azaspiro[3.3]heptane-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; at 20 - 80℃; Triethylamine (1.67 mE, 12.0 mmol) and HATU (1.67 g, 4.4 mmol) were added to a solution of 2-(tert- butoxycarbonyl)-2-azaspiro[3 .3]heptane-6-carboxylic acid (0.965 g, 4.0 mmol) and 2,2,2-trifluoro-N-hydroxyethanimi- damide (0.512 g, 4.0 mmol) in THF (20 mE) and the resulting mixture was stirred at RT for 4 h then heated at reflux at 80 C. overnight. The reaction mixture was concentrated to remove the THF and the residue was partitioned between sat. aq. NaHCO3 (containing some Na2CO3) and DCM. The phases were separated and the aqueous phase was extracted further with DCM (x2). The combined organic phases were passed through a phase separator cartridge and concentrated. The crude residue was purified by flash chromatography (normal silica, mesh size: 60-120, 0% to 10% MeOH in DCM) to give impure tert-butyl 6-[3- (trifluoromethyl)-1 ,2,4-oxadiazol-5-yl]-2-azaspiro[3 .3]hep- tane-2-carboxylate (2.05 g, >100%). ECMS (Method C): mlz 278 [M-93u+H] (ESj, at1.59 mi UV active.
 

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