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Chemical Structure| 903513-58-6 Chemical Structure| 903513-58-6

Structure of 4-Bromo-2,6-difluoropyridine
CAS No.: 903513-58-6

Chemical Structure| 903513-58-6

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Product Details of [ 903513-58-6 ]

CAS No. :903513-58-6
Formula : C5H2BrF2N
M.W : 193.98
SMILES Code : FC1=CC(Br)=CC(F)=N1
MDL No. :MFCD21603855
InChI Key :MJRNQISNYVXBKN-UHFFFAOYSA-N
Pubchem ID :22015559

Safety of [ 903513-58-6 ]

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

Application In Synthesis of [ 903513-58-6 ]

* 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 [ 903513-58-6 ]

[ 903513-58-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 903513-58-6 ]
  • [ 5932-27-4 ]
  • [ 1151683-43-0 ]
YieldReaction ConditionsOperation in experiment
89% With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20℃; for 4h;Schlenk technique; Inert atmosphere; In a round bottom Schlenk flask under argon 2,6-difluoro-4-bromopyridyne (1 g, 5.15 mmol) and 3-ethoxycarbonyl pyrazole (1.44 g, 10.3 mmol) were dissolved in 30 mL of dry THF. The solution was cooled to 0 °C and NaH (60percent in oil, 452 mg, 11.3 mmol) was added. The reaction mixture was left at rt. for 4 h, after which 20 mL of CH2Cl2 was added. The organic phase was washed with water (20 mL) and the aqueous phase was extracted with CH2Cl2 (3 * 10 mL). The combined organic phases were dried over Na2SO4 and concentrated to dryness to afford a solid that was purified by flash chromatography (CH2Cl2/hexane 1:1) to a white solid 2 g, 89percent. 1H NMR (CDCl3, 300 MHz) delta: 8.55 (2H, d, J = 2.6 Hz), 8.28 (2H, s), 7.01 (2H, d, J = 2.6 Hz), 4.46 (4H, q, J = 7.1 Hz), 1.44 (6H, t, J = 7.2 Hz).ppm; 13C NMR (CDCl3, 75 MHz) delta: 161.7; 149.7; 146.9; 137.4; 128.6; 114.6; 110.7; 61.5; 14.3 ppm. Anal. Calc. for C17H16BrN5O4: C 47.02, H 3.71, N 16.13, found: C 46.82, H 3.57, N 15.92; MS (EI + ): m/z = 433.0 ([M + H]+, 100percent), 435.0 ([M + H]+ + 2, 97percent)
 

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