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1215387-58-8

1215387-58-8 Structure

1215387-58-8 Structure
IdentificationBack Directory
[Name]

5-BroMo-6-azaindole
[CAS]

1215387-58-8
[Synonyms]

5-BroMo-6-azaindole
5-Bromo-6-azaindole 98%
5-Bromo-1H-pyrrolo[2,3-c]pyridine
1H-Pyrrolo[2,3-c]pyridine, 5-broMo-
[EINECS(EC#)]

200-589-5
[Molecular Formula]

C7H5BrN2
[MDL Number]

MFCD12024306
[MOL File]

1215387-58-8.mol
[Molecular Weight]

197.03
Chemical PropertiesBack Directory
[Boiling point ]

362.0±22.0 °C(Predicted)
[density ]

1.770
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

13.70±0.40(Predicted)
[Appearance]

Light brown to brown Solid
[InChI]

InChI=1S/C7H5BrN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H
[InChIKey]

HIYAJEAFUVCOFA-UHFFFAOYSA-N
[SMILES]

C1=NC(Br)=CC2C=CNC1=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

5-BroMo-6-azaindole(1215387-58-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethenamine, 2-(2-bromo-5-nitro-4-pyridinyl)-N,N-dimethyl-

1268816-53-0

5-BroMo-6-azaindole

1215387-58-8

Step 4: 5-bromo-1H-pyrrolo[2,3-c]pyridine (62 mg, 0.23 mmol) was dissolved in acetic acid (2 mL) and iron powder (127 mg, 2.28 mmol) was added at room temperature. The reaction mixture was heated to 70 °C and stirred for 2 hours. After completion of the reaction, it was cooled to room temperature and the mixture was poured into ethyl acetate (30 mL) and filtered through a diatomaceous earth pad. The filtrate was washed sequentially with 5% sodium bicarbonate solution, water and saturated brine and dried over anhydrous sodium sulfate. The solvent was concentrated under reduced pressure to afford the target compound 2-(2-bromo-5-nitropyridin-4-yl)-N,N-dimethylethylamine (25 mg, 56% yield).1H NMR (CDCl3) δ: 9.42 (1H, broad peak), 8.60 (1H, single peak), 7.74 (1H, single peak), 7.47 (1H, double peak, J=2.8 Hz), 6.54 ( 1H, double peak, J=2.8Hz).

[References]

[1] Patent: WO2012/103806, 2012, A1. Location in patent: Page/Page column 44
[2] Patent: EP2474540, 2012, A1. Location in patent: Page/Page column 38
[3] Patent: US2017/298060, 2017, A1. Location in patent: Paragraph 0089
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