[ CAS No. 452-92-6 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 452-92-6
Chemical Structure| 452-92-6
Structure of 452-92-6

Quality Control of [ 452-92-6 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 452-92-6 ]

SDS

Product Details of [ 452-92-6 ]

CAS No. :452-92-6MDL No. :MFCD03426368
Formula :C6H4BrF2NBoiling Point :223°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :208.00Pubchem ID :2783295
Synonyms :

Computed Properties of [ 452-92-6 ]

TPSA : 26 H-Bond Acceptor Count : 3
XLogP3 : 2.1 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 452-92-6 ]

Signal Word:WarningClass
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338UN#:
Hazard Statements:H302-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 452-92-6 ]

  • Upstream synthesis route of [ 452-92-6 ]

[ 452-92-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 345-24-4 ]
  • [ 452-92-6 ]
YieldReaction ConditionsOperation in experiment
59.1% With water; iron; ammonium chloride In tetrahydrofuran; ethanol at 95℃; for 1.50 h; Heating / reflux A 250-mL RB-flask, charged with 5-bromo-2,4-difluoronitrobenzene (5.04 g, 21.3 [MMOL),] saturated [NH4CL] (25.0 mL), iron powder (5.00 g, 89.5 mmol), ethanol (100 mL), THF (50.0 mL) and water (25.0 mL) was refluxed at [95 °C] for 1.5 hours. After cooling to room temperature, saturated [NAHCO3] (100 mL) was added and the mixture was filtered through Celite and the Celite was washed with EtOAc (3 x 50 mL). The combined filtrates were washed with H20 and brine, dried over [MGSO4,] filtered and concentrated in vacuo. The crude product was purified by flash chromatography (EtOAc: hexanes 1: 9) to afford 5- bromor-2, [4-DIFLUOROANILINE] (2.61 g, [59. 1percent). 1H] NMR (400 MHz, [CDC13)] 5 6.97 (dd, 1H, J = 7.2, 6.7 Hz), 6.85 (t, 1H, [J] = 8.2 Hz), 3.63 (br, 2H).
Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 16, p. 3870 - 3882
[2] Patent: WO2004/5257, 2004, A1. Location in patent: Page 67-68
[3] Journal of the American Chemical Society, 1956, vol. 78, p. 2593,2596
  • 2
  • [ 348-57-2 ]
  • [ 452-92-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 16, p. 3870 - 3882
[2] Journal of the American Chemical Society, 1956, vol. 78, p. 2593,2596
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