ChemicalBook--->CAS DataBase List--->479553-01-0

479553-01-0

479553-01-0 Structure

479553-01-0 Structure
IdentificationBack Directory
[Name]

1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID
[CAS]

479553-01-0
[Synonyms]

SWF-7
7-Azaindole-4-carboxylic ...
7-AZAINDOLE-4-CARBOXYLIC ACID
3-b]pyridine-4-carboxylic acid
7-Azaindole-4-carboxylicacid,97%
1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID
[Molecular Formula]

C8H6N2O2
[MDL Number]

MFCD08272236
[MOL File]

479553-01-0.mol
[Molecular Weight]

162.15
Chemical PropertiesBack Directory
[Melting point ]

>330℃
[density ]

1.506±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

1.45±0.10(Predicted)
[color ]

White to cream
[InChI]

1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)
[InChIKey]

HPPPHDPVSYYWCH-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccnc2[nH]ccc12
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26-24/25
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

Yellow solid
[Uses]

The sensitivity of 7-azaindole to its environment is demonstrated and then exploited by studying it and its analogs in peptides and in complexes with larger proteins containing many tryptophan residues.
[Synthesis]

4-CYANO-7-AZAINDOLE

344327-11-3

7-Azaindole-4-carboxylic acid

479553-01-0

General procedure for the synthesis of 7-azaindole-4-carboxylic acid from 4-cyano-7-azaindole: A mixture of 4-cyano-7-azaindole (11.5 g, 80 mmol), sodium hydroxide (32 g, 800 mmol), water (100 mL) and ethanol (100 mL) was heated to reflux. After 6 hours of reaction, the reaction mixture was cooled to room temperature, neutralized and acidified with concentrated hydrochloric acid. The precipitated solid was collected by filtration to afford 7-azaindole-4-carboxylic acid (10.4 g, 80% yield), which was used in subsequent reactions without further purification.

[References]

[1] Patent: WO2012/127506, 2012, A1. Location in patent: Page/Page column 65
[2] Patent: WO2011/23081, 2011, A1. Location in patent: Page/Page column 52
Spectrum DetailBack Directory
[Spectrum Detail]

1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID(479553-01-0)1HNMR
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