ChemicalBook--->CAS DataBase List--->271-34-1

271-34-1

271-34-1 Structure

271-34-1 Structure
IdentificationMore
[Name]

5-Azaindole
[CAS]

271-34-1
[Synonyms]

1,5-DIAZAINDENE
1,6-DIAZAINDENE
1H-PYRROLO[2,3-C]PYRIDINE
1H-PYRROLO[3,2-C]PYRIDINE
3,7-DIDEAZAPURINE
5-AZAINDOLE
6-AZAINDOLE
HARMYRINE
5-AZAINDOLE 98%
1H-Pyrrolo[3,2-c]pyridine, 5-Azaindole
5-Aza-1H-indole
5-Azaindole (1,5-Diazaindene 3,7-Dideazapurine)
[EINECS(EC#)]

676-348-8
[Molecular Formula]

C7H6N2
[MDL Number]

MFCD01686899
[Molecular Weight]

118.14
[MOL File]

271-34-1.mol
Chemical PropertiesBack Directory
[Melting point ]

104.6-108.4°C
[Boiling point ]

132°C/0.2mmHg(lit.)
[density ]

1.242±0.06 g/cm3(Predicted)
[RTECS ]

UY8725000
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

15.20±0.30(Predicted)
[color ]

White to Light yellow
[Water Solubility ]

Hardly soluble in water. Soluble in methanol and chloroform.
[λmax]

264nm(H2O)(lit.)
[InChI]

InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
[InChIKey]

SRSKXJVMVSSSHB-UHFFFAOYSA-N
[SMILES]

C1=NC=CC2NC=CC1=2
[CAS DataBase Reference]

271-34-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Sulfuric acid-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->N,N-Dimethylformamide-->Nitric acid-->n-Butyllithium-->Hexane-->Hydrogen peroxide-->Palladium-->Di-tert-butyl dicarbonate-->N,N-Dimethylformamide dimethyl acetal-->N-Methylaniline-->Isopropyl acetate-->Ammonium formate-->L(+)-Tartaric acid-->3-Picoline-->3-Methyl-4-nitropyridine N-Oxide-->NICKEL ALUMINIDE-->3-Methyl-4-aminopyridine
Hazard InformationBack Directory
[Chemical Properties]

crystals
[Uses]

5-Azaindole is a factor VIIa inhibitor.Also useful intermediate for pharmaceutical application.
[Synthesis Reference(s)]

Tetrahedron, 49, p. 2885, 1993 DOI: 10.1016/S0040-4020(01)80387-2
[References]

[1] E. A. LAPAN L. Y. Reductive dealkoxylation of 5-azaindole derivatives[J]. Chemistry of Heterocyclic Compounds, 1972, 8 1: 781-782. DOI:10.1007/BF00487485.
[2] JENNIFER R. RIGGS. Novel 5-azaindole factor VIIa inhibitors[J]. Bioorganic & Medicinal Chemistry Letters, 2006, 16 12: Pages 3197-3200. DOI:10.1016/j.bmcl.2006.03.049.
[3] SHIGENOBU OKUDA Micahel R. Notes- The Synthesis of 5-Azaindole[J]. The Journal of Organic Chemistry, 1959, 24 7: 1008-1011. DOI:10.1021/jo01089a616.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Azaindole(271-34-1)1HNMR
5-Azaindole(271-34-1)FT-IR
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