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[ CAS No. 887266-99-1 ]

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Chemical Structure| 887266-99-1
Chemical Structure| 887266-99-1
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CAS No. :887266-99-1 MDL No. :MFCD07782076
Formula : C7H3FIN Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :247.01 g/mol Pubchem ID :24721521
Synonyms :

Safety of [ 887266-99-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 887266-99-1 ]

  • Upstream synthesis route of [ 887266-99-1 ]
  • Downstream synthetic route of [ 887266-99-1 ]

[ 887266-99-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 63069-50-1 ]
  • [ 887266-99-1 ]
YieldReaction ConditionsOperation in experiment
4.0 g
Stage #1: With toluene-4-sulfonic acid In acetonitrile at 22 - 26℃; for 4 h;
Stage #2: With potassium iodide; sodium nitrite In water; acetonitrile at 0℃; for 1 h;
A mixture of 4-amino-3-fluorobenzonitrile (5.0 g, 36.76 mmol) and p-toluenesulfonic acid (20.0 g, 105.2 mmol) in acetonitrile (50 mL) was stirred at RT for 4 h. Then aq. solution of NaNO2 (3.8 g, 55.07 mmol) and KI (9.15 g, 55.07 mmol) were added at 0°C and stirred further for lh. After the reaction completion, the reaction mixture was quenched with water, washed with an aqueous solution of NaHSO3 and extracted with EtOAc. The organic layerwas washed with water, brine, dried over Na2SO4 and concentrated to afford 4.0 g of the title product. ‘H NMR (300 MHz, CDC13): 7.94-7.89 (t, J = 8.4 Hz, 1H), 7.34-7.32 (d, J = 7.5 Hz, 1H), 7.21-7.19 (d, J= 8.1 Hz, 1H).
Reference: [1] Patent: WO2016/55947, 2016, A1, . Location in patent: Page/Page column 57
[2] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 23-24, p. 3766 - 3773
  • 2
  • [ 218632-01-0 ]
  • [ 887266-99-1 ]
Reference: [1] Patent: WO2016/55947, 2016, A1,
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