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Sodium Iodide → HCID 178505979, compound

HRID 510028
Notes
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Reaction equation

HRID 510028 reaction equation
[F:1][C:2]1[CH:3]=[C:4]2[C:10](N)=[N:9][NH:8][C:5]2=[N:6][CH:7]=1.N(OCCC(C)C)=O.[I-:20].[Na+]>C1COCC1.C(OCC)C.CC(C)=O>[F:1][C:2]1[CH:3]=[C:4]2[C:10]([I:20])=[N:9][NH:8][C:5]2=[N:6][CH:7]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 5238Sodium IodideHCID 8053Isoamyl NitriteHCID 178509230HCID 178509230, compound

Product 1

HCID 178505979HCID 178505979, compound

Reagents, catalysts & solvents 3

HCID 180AcetoneSolventHCID 3283Diethyl EtherSolvent
HCID 8028
Tetrahydrofuran
Solvent
2×

Conditions

Temperature
0 °C

Procedure

10 g (65.75 mmol) of 5-fluoro-1H-pyrazolo[3,4-b]pyridine-3-amine were initially charged in THF (329 ml), and the mixture was cooled to 0° C. 16.65 ml (131.46 mmol) of boron trifluoride diethyl ether complex were then added gradually. The reaction mixture was cooled further to −10° C. A solution of 10.01 g (85.45 mmol) of isopentyl nitrite in THF (24.39 ml) was then added gradually, and the mixture was stirred for a further 30 min. The mixture was diluted with cold diethyl ether (329 ml) and the resulting solid was filtered off. The diazonium salt thus prepared was added in portions to a solution at 0° C. of 12.81 g (85.45 mmol) of sodium iodide in acetone (329 ml), and the mixture was stirred at RT for 30 min. The reaction mixture was poured onto ice-water (1.8 l) and extracted twice with ethyl acetate (487 ml each time). The collected organic phases were washed with saturated aqueous sodium chloride solution (244 ml), dried, filtered and concentrated. This gave 12.1 g (86% purity, 60% of theory) of the title compound in the form of a brown solid. The crude product was converted without further purification.

Workup

  1. addition16.65 ml (131.46 mmol) of boron trifluoride diethyl ether complex were then added gradually
  2. temperatureThe reaction mixture was cooled further to −10° C
  3. filtrationthe resulting solid was filtered off
  4. customThe diazonium salt thus prepared
  5. stirringthe mixture was stirred at RT for 30 min
  6. additionThe reaction mixture was poured onto ice-water (1.8 l)
  7. extractionextracted twice with ethyl acetate (487 ml each time)
  8. washThe collected organic phases were washed with saturated aqueous sodium chloride solution (244 ml)
  9. customdried
  10. filtrationfiltered
  11. concentrationconcentrated
  12. customThe crude product was converted without further purification

Sources & evidence

ORD record
ord-0767a86e3c334d1b96960a3dd12ddfec
Source dataset
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09096592B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes