6-Bromopyrazin-2(1H)-one

Name: 6-Bromopyrazin-2(1H)-one
Brand: ChemScene
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CAS No. 859063-85-7
Cat. No. CS-0146601
Purity≥98%
MDL No.MFCD11869504

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 859063-85-7
Cat. No. CS-0146601
Purity ≥98%
MDL No. MFCD11869504
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₃BrN₂O
Molecular Weight 174.98
Synonym(s) 6-Bromopyrazin-2-ol
SMILES O=C1C=NC=C(Br)N1

Description

6-Bromopyrazin-2(1H)-one features a bromine substituent at the C6 position of a pyrazinone core, conferring enhanced reactivity for cross-coupling transformations. This electron-deficient heterocycle serves as a key building block in medicinal chemistry and materials science, enabling efficient access to functionalized pyrazine derivatives under standard conditions.

Application

6-Bromopyrazin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling reactions. Its pyrazinone core provides a stable, hydrogen-bonding capable scaffold suitable for drug discovery applications. The bromine substituent offers high reactivity in Suzuki, Stille, and Negishi couplings, facilitating rapid diversification of heterocyclic architectures. Bench-stable and readily purified by recrystallization, it functions as a reliable intermediate in the synthesis of bioactive molecules and advanced API candidates.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 45.75
LogP 0.5324
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazine compounds

Key Words

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6-Bromopyrazin-2(1H)-one

CAS No. 859063-85-7

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