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Chemical Structure| 1221171-94-3 Chemical Structure| 1221171-94-3
Chemical Structure| 1221171-94-3
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Product Details of [ 1221171-94-3 ]

CAS No. :1221171-94-3
Formula : C6H5F3N2O
M.W : 178.11
SMILES Code : NC1=CC=CN=C1OC(F)(F)F
MDL No. :MFCD19690148
InChI Key :CUEOPNNIXGYENY-UHFFFAOYSA-N
Pubchem ID :49871101

Safety of [ 1221171-94-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1221171-94-3 ]

* 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 [ 1221171-94-3 ]

[ 1221171-94-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1221171-93-2 ]
  • [ 1221171-94-3 ]
YieldReaction ConditionsOperation in experiment
80% With ammonium formate;palladium 10% on activated carbon; In methanol; at 55℃; for 16.0h; 3-amino-2-trifluoromethoxy pyridine (40); At 25 0C, palladium (10% on charcoal, 730 mg) was added with stirring to a solution of 5-amino-2-chloro-6-trifluoromethoxypyridine (39, 1.6 g, 7.4 mmol) and ammonium formate (940 mg, 14.8 mmol, 2 eq) in methanol (12 mL). The reaction mixture was stirred for 16 h at 55 0C before being filtrated under suction and the solvent evaporated.The residue was partitioned between ethyl acetate (2chi 20 mL) and water (30 mL). The combined organic layers were dried over sodium sulfate before being evaporated to afford pure 3-amino-2-trifluoromethoxypyridine (40, 1.05 g, 5.9 mmol, 80%) as a yellow oil.1H NMR (CDCl3, 300 MHz): delta = 7.68 (dd, J = 4.6, 1.7 Hz, 1 H), 7.09 (dd, J = 7.8, 1.7 Hz 1 H), 7.02 (dd, J= 7.8, 4.6 Hz, 1 H), 3.90 (bs, 2 H). - 19F NMR (CDCl3, 282 MHz): delta = -56.2 - 13C NMR (CDCl3, 75 MHz): delta = 144.6, 138.2, 132.2, 124.1, 122.4, 120.3 (q, J= 262 Hz). - C6H5F3N2O (178): calcd. (%) C 40.46, H 2.83, N 15.73; found C 41.28,H 2.90, N 16.02.
  • 2
  • [ 1221171-94-3 ]
  • ethyl 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate [ No CAS ]
  • C29H25F3N6O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
53.16% With potassium tert-butylate; In tetrahydrofuran; at 0 - 20℃; for 0.5h; To a cooled solution of 20 (0.380 g, 0.902 mmol,1 eq), and 20.1 (0.144 g, 0.812 mmol, 0.9 eq) in tetrahydroffiran (5 mE) at 00 C. was added potassium ter-butoxide (1.80 mE, 1.80 mmol, 2.0 eq). The reaction was stirred at room temperature for 30 mi Afier completion of reaction, reaction mixture was transferred into saturated bicarbonate solution and product was extracted with ethyl acetate. Organic layer was combined and dried over sodium sulphate and concentrated under reduced pressure to obtain crude material. This was thrther purified by column chromatography and compound was eluted in 17% ethyl acetate in hexane to obtain pure 20.2. (0.270 g, 53.16%). MS (ES): mlz 563.55 [M+H].
 

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