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91830-17-0

91830-17-0 Structure

91830-17-0 Structure
IdentificationBack Directory
[Name]

Spiro[benzofuran-2(3H),4'-piperidine], 5-broMo-
[CAS]

91830-17-0
[Synonyms]

5-broMo-3H-spiro[benzofuran-2,4'-piperidine]
5-bromospiro[3H-1-benzofuran-2,4-piperidine]
Spiro[benzofuran-2(3H),4'-piperidine], 5-broMo-
5-bromo-2,3-dihydro-spiro[benzofuran-2(3H),4'-piperidine
[Molecular Formula]

C12H14BrNO
[MDL Number]

MFCD20230674
[MOL File]

91830-17-0.mol
[Molecular Weight]

268.15
Chemical PropertiesBack Directory
[Boiling point ]

367.0±42.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

10.26±0.20(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H317-H319-H331-H334
[Precautionary statements ]

P261-P264-P270-P271-P272-P280-P285-P302+P352-P304+P340-P305+P351+P338-P311-P321-P330-P333+P313-P337+P313-P363-P403+P233-P405-P501
Hazard InformationBack Directory
[Synthesis]

3H-SPIRO[1-BENZOFURAN-2,4''-PIPERIDINE]

71916-73-9

Spiro[benzofuran-2(3H),4'-piperidine], 5-broMo-

91830-17-0

General procedure for the synthesis of 5-bromo-3H-spiro[benzofuran-2(3H),4'-piperidine] from spiro[benzofuran-2(3H),4'-piperidine]: 1. Synthesis of intermediates 1-5: N-bromosuccinimide (13.9 g, 78.7 mmol) was added to a methanol solution of 1-4 (7.44 g, 39.4 mmol) at 0 °C, and the reaction mixture was stirred at 0 °C for 6 hours. After completion of the reaction, the reaction mixture was concentrated under reduced pressure and the residue was diluted with water and ethyl acetate. The organic layer was separated and the aqueous phase was alkalized with saturated sodium bicarbonate solution to pH 8. The aqueous layer was extracted with ethyl acetate and the combined organic phases were dried with anhydrous sodium sulfate, filtered to remove the solids, and the filtrate was concentrated to give 1-5 as a brown solid (6 g, 62%). 1H NMR (400MHz, CD3OD) δ: 7.39 (s, 1H), 7.29 (d, J = 8.4Hz, 1H), 6.75 (d, J = 8.4Hz, 1H), 3.43-3.40 (m, 4H), 3.19 (s, 2H), 2.22-2.19 (m, 2H), 2.12-2.04 (m, 2H). MS (ESI): m/z 268.2, 270 (M + H)+.

[References]

[1] Patent: WO2010/144571, 2010, A1. Location in patent: Page/Page column 128-129
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