ChemicalBook--->CAS DataBase List--->889447-19-2

889447-19-2

889447-19-2 Structure

889447-19-2 Structure
IdentificationBack Directory
[Name]

2-chloro-5H-pyrrolo[2,3-b]pyrazine
[CAS]

889447-19-2
[Synonyms]

2-chloro-5H-pyrrolo[2
2-Chloro-5H-pyrrolo[2,3-b...
2-chloro-5H-pyrrolo[2,3-b]pyrazine
2-chloro-5H-pyrrolo[3,2-b]pyrazine
5H-Pyrrolo[2,3-b]pyrazine, 2-chloro-
[Molecular Formula]

C6H4ClN3
[MDL Number]

MFCD11518976
[MOL File]

889447-19-2.mol
[Molecular Weight]

153.57
Chemical PropertiesBack Directory
[density ]

1.531±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

10.63±0.50(Predicted)
[Appearance]

yellow solid
[InChI]

InChI=1S/C6H4ClN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
[InChIKey]

RORAIVYFQFAIAF-UHFFFAOYSA-N
[SMILES]

C12NC=CC1=NC(Cl)=CN=2
Questions And AnswerBack Directory
[Uses]

2-Chloro-5H-pyrrolo[2,3-B]pyrazine is a common pyrrolo[2,3-B]pyrazine bicyclic compound, widely used in the preparation of pharmaceutical and chemical intermediates.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

2-chloro-5H-pyrrolo[2,3-b]pyrazine(889447-19-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Bromo-4,7-diazaindole

875781-43-4

2-chloro-5H-pyrrolo[2,3-b]pyrazine

889447-19-2

General procedure for the synthesis of 2-chloro-5H-pyrrolo[2,3-b]pyrazine from 5-bromo-4,7-diazaindole: 2-bromo-5H-pyrrolo[2,3-b]pyrazine (3.1 g, 16 mmol) was dissolved in 1,4-dioxane (20 mL), and phosphorochloridic acid (2.27 mL, 24.1 mmol) was added. Subsequently, triethylamine (220 μL, 1.58 mmol) was added and the reaction was carried out at 110 °C for 6 hours. After completion of the reaction, the reaction mixture was dried with anhydrous sodium sulfate and concentrated. Purification by column chromatography (petroleum ether/ethyl acetate, v/v=2/1) gave 1.3 g of gray solid product in 54% yield.

[References]

[1] Patent: CN106336413, 2017, A. Location in patent: Paragraph 0379; 0380; 0381
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