ChemicalBook--->CAS DataBase List--->276862-85-2

276862-85-2

276862-85-2 Structure

276862-85-2 Structure
IdentificationBack Directory
[Name]

1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)
[CAS]

276862-85-2
[Synonyms]

2-b]pyridine-3-carbaldehyde
4-Azaindole-3-carboxaldehyde
4-Azaindole-3-carboxyaldehyde
4-Azazindole-3-carboxyaldehyde.
4-Azaindole-3-carboxaldehyde 97%
1H-Pyrrolo[3,2-b]pyridine-3-carbaldehyde
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI) ISO 9001:2015 REACH
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 3-Formyl-1H-pyrrolo[3,2-b]pyridine
[Molecular Formula]

C8H6N2O
[MDL Number]

MFCD11877845
[MOL File]

276862-85-2.mol
[Molecular Weight]

146.15
Chemical PropertiesBack Directory
[Boiling point ]

361.1±22.0 °C(Predicted)
[density ]

1.368
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

13.16±0.40(Predicted)
[Appearance]

Light brown to brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P302+P352
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)(276862-85-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Azaindole

272-49-1

Hexamethylenetetramine

100-97-0

1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)

276862-85-2

General procedure for the synthesis of 4-azaindole-3-carbaldehyde from 4-azaindole and hexamethylenetetetramine: A mixture of 4-azaindole (0.500 g, 4.223 mmol), hexamethylenetetetramine (0.890 g, 6.348 mmol), and acetic acid (3.630 mL, 63.45 mmol) in water (9 mL) was heated and refluxed for 4 hours. After completion of the reaction, the reaction mixture was cooled to room temperature and concentrated under reduced pressure. The target product 4-azaindole-3-carbaldehyde (0.550 g, 89% yield) was purified by silica gel column chromatography using a gradient elution of dichloromethane with methanol (2% to 4% methanol). The results of mass spectrometry analysis: ESI/APCI(+) m/z: 147 [M+H]+; ESI/APCI(-) m/z: 145 [M-H]-.

[References]

[1] Patent: WO2013/45516, 2013, A1. Location in patent: Page/Page column 198
[2] Patent: US2007/123535, 2007, A1. Location in patent: Page/Page column 35
[3] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 21, p. 5924 - 5934
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