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Chemical Structure| 790254-33-0 Chemical Structure| 790254-33-0

Structure of 790254-33-0

Chemical Structure| 790254-33-0

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Product Details of [ 790254-33-0 ]

CAS No. :790254-33-0
Formula : C6H5F3N2O
M.W : 178.11
SMILES Code : O=CC1=CN(CC(F)(F)F)N=C1
MDL No. :MFCD08696335

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Application In Synthesis of [ 790254-33-0 ]

* 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 [ 790254-33-0 ]

[ 790254-33-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 433-06-7 ]
  • [ 35344-95-7 ]
  • [ 790254-33-0 ]
YieldReaction ConditionsOperation in experiment
42% Preparation 55: 1 -(2,2,2-Trifluoro-ethyl)- 1 H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> Add 1 H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> (0.40Og, 4.16 mmol) as a solution in DMF (2 mL) dropwise to a suspension of sodium hydride (0.333 g, 8.32 mmol) in DMF (5 mL) at 0 0C. Stir for 15 min. at 0 0C. Add 2,2,2-trifluoroethyl-p-toluenesulfonate (1.27 g, 5.00 mmol) and DMF (3 mL) to the reaction mixture. Heat to 60 0C for 18 hr. Quench with aqueous saturated sodium bicarbonate solution and add ethyl acetate. Separate organic layer. Extract aqueous layer twice with ethyl acetate, wash combined organics with brine, dry (magnesium sulfate), filter, concentrate and purify (silica gel chromatography, eluting with 0: 100 to 100:0 ethyl acetate:hexanes) to give the title preparation (309 mg, 42%). GC-MS: m/z = 178 [M+].
  • 2
  • [ 6226-25-1 ]
  • [ 35344-95-7 ]
  • [ 790254-33-0 ]
YieldReaction ConditionsOperation in experiment
16.18% With caesium carbonate; In N,N-dimethyl-formamide; at 60℃; for 16h; To the stirred solution of lH-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> 8-1 (200 mg, 2.08 mmol) in DMF (5 mL) was added cesium carbonate (1.70 g, 5.20 mmol) and 2,2,2-trifluoroethyl trifluoromethanesulfonate 8-2 (579.73 mg, 2.50 mmol, 360.08 uL). The reaction was heated at 60C for 16 hours and then quenched with cold water. The organic layer was extracted with ethyl acetate, washed with saturated aqueous solution of NaHCCb, dried over Na2S04and concentrated under reduced pressure to afford crude material that was purified by column chromatography to afford 1 -(2,2,2- triiluoroethyl)<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> 3 (60 mg, 336.87 urnol, 16.18% yield) as a gummy liquid. 1H NMR (400 MHz, DMSO-d6) d 9.85 (s, 1H), 8.60 (s, 1H), 8.10 (s, 1 1 1 ), 5.27 (q, J = 18.12, 9.00Hz, 21 1 ).
 

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