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CS-W001157 4
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3-Bromo-5-methylpyrazin-2(1H)-one

  • CAS No. 1260810-61-4

  • Cat. No. CS-0188073
  • Molecule weight189.01
  • Purity≥98%
  • MDL No.MFCD13193675

*For research and further manufacturing use only, not for direct human use.

3-Bromo-5-methylpyrazin-2(1H)-one|CS-0188073

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General Information

  • CAS No. 1260810-61-4
  • Cat. No. CS-0188073
  • Purity ≥98%
  • MDL No. MFCD13193675
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅BrN₂O
  • Molecular Weight 189.01
  • Synonym(s) 3-Bromo-5-methyl-2(1H)-pyrazinone
  • SMILES O=C1NC=C(N=C1Br)C

Description

3-Bromo-5-methylpyrazin-2(1H)-one features a brominated pyrazinone core with a methyl group at the 5-position, offering a reactive site for cross-coupling and a sterically accessible framework for derivatization. This bench-stable heterocycle integrates readily into complex molecular architectures under standard conditions.

Application

3-Bromo-5-methylpyrazin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent. The pyrazinone core provides hydrogen-bonding capability and metabolic stability, while the methyl group enhances lipophilicity and electronic modulation. Bench-stable and amenable to purification by recrystallization, it facilitates efficient synthesis of heterocyclic scaffolds relevant to kinase inhibitors and antimicrobial agents.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   0.84082
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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