3-Chloropyrazin-2(1H)-one

Name: 3-Chloropyrazin-2(1H)-one
Brand: ChemScene
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CAS No. 105985-17-9
Cat. No. CS-0155546
Purity≥97%
MDL No.MFCD18427098

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 105985-17-9

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Description

3-Chloropyrazin-2(1H)-one features a chlorinated pyrazinone core with enhanced electrophilicity at the C3 position, enabling selective nucleophilic substitution reactions. This bench-stable heterocycle integrates readily into bioactive scaffolds and serves as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents.

Application

3-Chloropyrazin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C3 position via nucleophilic substitution. Its pyrazinone core provides a stable, electron-deficient heterocyclic scaffold compatible with diverse coupling reactions. The chlorine substituent facilitates palladium-catalyzed cross-coupling and amide formation, offering efficient access to substituted pyrazine derivatives. Bench-stable and readily purified by recrystallization, it functions as a reliable intermediate in API synthesis and combinatorial library generation.

General Information

CAS No. 105985-17-9
Cat. No. CS-0155546
Purity ≥97%
MDL No. MFCD18427098
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₃ClN₂O
Molecular Weight 130.53
Synonym(s) oropyrazin-2-oL
SMILES C1=CNC(=O)C(=N1)Cl

Computational Chemistry Data

TPSA 45.75
LogP 0.4233
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-Chloropyrazin-2(1H)-one

CAS No. 105985-17-9

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