3-Bromo-1-methylpyrazin-2(1H)-one

Name: 3-Bromo-1-methylpyrazin-2(1H)-one
Brand: ChemScene
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CAS No. 1187017-25-9
Cat. No. CS-0441905
Molecule weight189.01
Purity≥98%
MDL No.None

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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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3-Bromo-1-methylpyrazin-2(1H)-one|CS-0441905

Structure of 1187017-25-9

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General Information

CAS No. 1187017-25-9
Cat. No. CS-0441905
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅BrN₂O
Molecular Weight 189.01
Synonym(s) 3-bromo-1-methyl-1,2-dihydropyrazin-2-one
SMILES CN1C=CN=C(C1=O)Br

Description

3-Bromo-1-methylpyrazin-2(1H)-one features a brominated pyrazinone core with a methyl group at the 1-position, offering a reactive site for cross-coupling transformations. The electron-deficient ring system enhances compatibility in transition-metal-catalyzed reactions, while the bench-stable nature supports reliable handling under standard conditions.

Application

3-Bromo-1-methylpyrazin-2(1H)-one serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo substituent. The pyrazinone core provides a stable, bench-accessible scaffold with moderate polarity, facilitating purification and compatibility with common reaction conditions. Its functional group tolerance supports downstream derivatization in medicinal chemistry and process development workflows.

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+P364-P405-P501

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Computational Chemistry Data

TPSA 34.89
LogP 0.5428
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazine compounds

Key Words

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3-Bromo-1-methylpyrazin-2(1H)-one

CAS No. 1187017-25-9

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