ChemicalBook--->CAS DataBase List--->1111637-94-5

1111637-94-5

1111637-94-5 Structure

1111637-94-5 Structure
IdentificationBack Directory
[Name]

5-Bromo-3-methyl-7-azaindole
[CAS]

1111637-94-5
[Synonyms]

5-Bromo-3-methyl-7-azaindole
5-BroMo-3-Methyl-7-azaind...
5-bromo-3-methyl-pyrrolo[2,3-b]pyridine
3-Bromo-5-methyl-7H-pyrrolo[2,3-b]pyridine
5-Bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-Methyl-
[Molecular Formula]

C8H7BrN2
[MDL Number]

MFCD15529125
[MOL File]

1111637-94-5.mol
[Molecular Weight]

211.059
Chemical PropertiesBack Directory
[density ]

1.654±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

13.22±0.40(Predicted)
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-3-methyl-7-azaindole(1111637-94-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-bromo-3-methyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine

1620574-95-9

5-Bromo-3-methyl-7-azaindole

1111637-94-5

5-Bromo-3-methyl-1-toluenesulfonyl-1H-pyrrolo[2,3-B]pyridine (35 g, 96.2 mmol) was used as a raw material and dissolved in methanol (200 mL). To this solution, 6N sodium hydroxide solution (200 μL) was slowly added, followed by heating the reaction mixture to reflux and maintaining the reaction for 2 hours. After completion of the reaction, methanol was removed by vacuum concentration. The pH of the reaction mixture was adjusted to 7 with citric acid, followed by filtration of the precipitated solid. The solid was washed several times with deionized water and dried to give the target product 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine as a yellow solid (20 g, 98.5% yield). The product was confirmed by NMR hydrogen spectroscopy (400 MHz, DMSO-d6) with chemical shifts of δ11.462 (s, 1H), 8.134 (s, 1H), 8.045 (s, 1H), 7.210 (s, 1H), and 2.135 (s, 3H), respectively.

[References]

[1] Patent: WO2014/111496, 2014, A1. Location in patent: Page/Page column 99
[2] Patent: WO2016/142310, 2016, A1. Location in patent: Page/Page column 65
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