3-Chloro-5-methylpyrazin-2(1H)-one

Name: 3-Chloro-5-methylpyrazin-2(1H)-one
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CAS No. 89283-33-0
Cat. No. CS-0099437
Purity≥95%
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+
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3-Chloro-5-methylpyrazin-2(1H)-one|CS-0099437

Structure of 89283-33-0

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General Information

CAS No. 89283-33-0
Cat. No. CS-0099437
Purity ≥95%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂O
Molecular Weight 144.56
Synonym(s) 3-Chloro-5-methyl-2(1H)-pyrazinone
SMILES O=C1C(Cl)=NC(C)=CN1

Description

3-Chloro-5-methylpyrazin-2(1H)-one features a fused pyrazinone core with orthogonal electron-withdrawing and electron-donating substituents, enabling selective functionalization in synthetic routes. This bench-stable heterocycle integrates readily into bioactive scaffolds, particularly as a building block for kinase inhibitors and antimicrobial agents.

Application

3-Chloro-5-methylpyrazin-2(1H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to pyrazine-based scaffolds. Its electrophilic chlorine and carbonyl functionalities support diverse functionalization via nucleophilic substitution and condensation reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

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-H332-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 45.75
LogP 0.73172
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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3-Chloro-5-methylpyrazin-2(1H)-one

CAS No. 89283-33-0

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