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Benzoyl Peroxide → 1-Acetyl-3-bromomethyl-6-fluoro-1H-indazole

HRID 1956371
Notes
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Reaction equation

HRID 1956371 reaction equation
[C:1]([N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:13])[CH:11]=2)[C:6]([CH3:14])=[N:5]1)(=[O:3])[CH3:2].C1C(=O)N([Br:22])C(=O)C1.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>C(Cl)(Cl)(Cl)Cl>[C:1]([N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:13])[CH:11]=2)[C:6]([CH2:14][Br:22])=[N:5]1)(=[O:3])[CH3:2]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 7187Benzoyl PeroxideHCID 67184N-bromobutanimideHCID 228766651-(6-Fluoro-3-methyl-1H-indazol-1-yl)ethanone

Product 1

HCID 228766611-Acetyl-3-bromomethyl-6-fluoro-1H-indazoleYield 65%

Reagents, catalysts & solvents 1

HCID 5943Carbon TetrachlorideSolvent

Conditions

Temperature
70 °C

Procedure

1-Acetyl-6-fluoro-3-methyl-1H-indazole (5.77 g, 33.1 mmol) in CCl4 (100 mL) was treated with NBS (3.64 g, 20 mmol) and benzoyl peroxide (0.388 g, 1.6 mmol) and the mixture was heated at 70° C. for 6 h. The mixture was concentrated and the residue quickly filtered through a plug of flash silica eluting with 2%→7% EtOAc in hexane to give the crude title compound (2.97 g, 65%) contaminated with traces of dibromide and starting material. This was conveniently used directly in subsequent reactions without further purification.

Workup

  1. concentrationThe mixture was concentrated
  2. filtrationthe residue quickly filtered through a plug of flash silica eluting with 2%→7% EtOAc in hexane

Sources & evidence

ORD record
ord-33b9c4ef7e20440181ed8ebe81a64e00
Source dataset
uspto-grants-1998_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05780475

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes