ChemicalBook--->CAS DataBase List--->832735-60-1

832735-60-1

832735-60-1 Structure

832735-60-1 Structure
IdentificationBack Directory
[Name]

7-Bromo[1,2,4]triazolo[4,3-a]pyridine
[CAS]

832735-60-1
[Synonyms]

7-BroMo[1,2,4]triazolo[4,...
7-Bromo[1,2,4]triazolo[4,3-a]pyridine
1,2,4-Triazolo[4,3-a]pyridine, 7-bromo-
7-BroMo[1,2,4]triazolo[4,3-a]pyridine C6H4BrN3 198.023
[Molecular Formula]

C6H4BrN3
[MDL Number]

MFCD09994418
[MOL File]

832735-60-1.mol
[Molecular Weight]

198.023
Chemical PropertiesBack Directory
[density ]

1.89
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

2.08±0.50(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C6H4BrN3/c7-5-1-2-10-4-8-9-6(10)3-5/h1-4H
[InChIKey]

JDEILNJRIPGRER-UHFFFAOYSA-N
[SMILES]

C12=NN=CN1C=CC(Br)=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

7-Bromo[1,2,4]triazolo[4,3-a]pyridine(832735-60-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Formic acid

64-18-6

4-BroMo-2-hydrazinylpyridine

1019918-39-8

7-Bromo[1,2,4]triazolo[4,3-a]pyridine

832735-60-1

General procedure for the synthesis of 7-bromo[1,2,4]triazolo[4,3-a]pyridine from formic acid and 4-bromo-2-hydrazinopyridine: 4-bromo-2-hydrazinopyridine (Compound 41.1, 1.0 equiv) was suspended in formic acid (3 mL). The reaction mixture was heated and stirred at 100 °C for 1 hour. After completion of the reaction, the mixture was cooled to room temperature. The VOCs were evaporated under reduced pressure and water (50 mL) was added to the residue. The precipitated solid was collected by filtration, washed with water and dried under reduced pressure at 50 °C to afford 7-bromo[1,2,4]triazolo[4,3-a]pyridine (Compound 41.2, 1.68 g, 90% yield) as an off-white solid. Mass spectrum (electrospray positive ion mode) m/z: 198, 200 [M+H]+.

[References]

[1] Patent: WO2014/8197, 2014, A1. Location in patent: Page/Page column 110
[2] Patent: WO2015/95767, 2015, A1. Location in patent: Page/Page column 125
[3] Patent: WO2010/89303, 2010, A1. Location in patent: Page/Page column 71
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