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CS-W001157 4
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5-Bromo-6-methylpyridin-2(1H)-one

  • CAS No. 54923-31-8

  • Cat. No. CS-W003077
  • Purity≥98%
  • MDL No.MFCD03427653

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

5-Bromo-6-methylpyridin-2(1H)-one|CS-W003077

Structure of 54923-31-8

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General Information

  • CAS No. 54923-31-8
  • Cat. No. CS-W003077
  • Purity ≥98%
  • MDL No. MFCD03427653
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆BrNO
  • Molecular Weight 188.02
  • Synonym(s) 5-Bromo-6-methylpyridin-2-ol
  • SMILES O=C1C=CC(Br)=C(C)N1

Description

5-Bromo-6-methylpyridin-2(1H)-one features a brominated pyridinone core with a methyl group at the 6-position, offering a reactive site for cross-coupling and a polar scaffold for synthetic modification. This bench-stable compound integrates readily into medicinal chemistry campaigns requiring halogenated heterocycles.

Application

5-Bromo-6-methylpyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine substituent. The pyridinone core provides hydrogen-bonding capability and enhanced solubility, while the methyl group offers mild steric and electronic modulation. Bench-stable and compatible with standard purification methods, it facilitates efficient synthesis of functionalized heterocycles and API intermediates.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 71, p. 1186,1191
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 71, p. 1186,1191
  • Route3

    References

    • Synlett, , # 11 p. 1678 - 1682

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.44582
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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