ChemicalBook--->CAS DataBase List--->507462-26-2

507462-26-2

507462-26-2 Structure

507462-26-2 Structure
IdentificationBack Directory
[Name]

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-nitro-
[CAS]

507462-26-2
[Synonyms]

5-BroMo-3-nitro-7-azaindole
5-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-nitro-
[Molecular Formula]

C7H4BrN3O2
[MDL Number]

MFCD12405111
[MOL File]

507462-26-2.mol
[Molecular Weight]

242.03
Chemical PropertiesBack Directory
[density ]

1.965±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

9.88±0.40(Predicted)
[Appearance]

Yellow to khaki Solid
[InChI]

1S/C7H4BrN3O2/c8-4-1-5-6(11(12)13)3-10-7(5)9-2-4/h1-3H,(H,9,10)
[InChIKey]

GHHWPSOGKLMSCJ-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1c[nH]c2ncc(Br)cc12
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-nitro-(507462-26-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Bromo-7-azaindole

183208-35-7

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-nitro-

507462-26-2

General procedure for the synthesis of 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine from 5-bromo-7-azaindole: 5-bromo-1H-pyrrolo[2,3-b]pyridine (470 mg, 2.39 mmol) was added to stirred fuming nitric acid (2.5 mL) in batches at 0 °C. After the addition was completed, the reaction system was kept at 0 °C and stirring was continued for 30 min. Subsequently, the reaction solution was carefully poured into an ice-water mixture (25 mL) and stirred for 30 min. The solid product was isolated by filtration, and the filter cake was washed sequentially with a large amount of deionized water and isohexane, and finally dried under vacuum to afford the target compound 5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (484 mg, 84% yield).

[References]

[1] Patent: WO2013/114113, 2013, A1. Location in patent: Page/Page column 23
[2] Patent: US2015/11533, 2015, A1. Location in patent: Paragraph 0101
[3] Patent: WO2018/134254, 2018, A1. Location in patent: Page/Page column 78; 79
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