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CS-W001157 4
Total: USD 88.00

4-Bromo-3-chloro-1-methylpyridin-2(1H)-one

  • CAS No. 2172654-58-7

  • Cat. No. CS-0162927
  • Molecule weight222.47
  • Purity≥97%
  • MDL No.None

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

4-Bromo-3-chloro-1-methylpyridin-2(1H)-one|CS-0162927

Structure of 2172654-58-7

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General Information

  • CAS No. 2172654-58-7
  • Cat. No. CS-0162927
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrClNO
  • Molecular Weight 222.47
  • Synonym(s) 4-Bromo-3-chloro-1-methyl-2(1H)-pyridinone
  • SMILES O=C1C(Cl)=C(Br)C=CN1C

Description

4-Bromo-3-chloro-1-methylpyridin-2(1H)-one features a densely functionalized pyridinone core with orthogonal halogen handles and a methyl group at the 1-position. This scaffold enables selective cross-coupling reactions under palladium catalysis, delivering complex heterocyclic architectures. The electron-deficient ring system enhances reactivity in nucleophilic substitution processes, while the bench-stable nature ensures reliable handling in synthetic workflows.

Application

4-Bromo-3-chloro-1-methylpyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates efficient Suzuki and Buchwald–Hartwig transformations, while the chloro and methylpyridinone functionalities offer enhanced stability and compatibility with diverse functional groups. Its bench-stable nature and ease of purification make it ideal for multi-step synthesis of heterocyclic scaffolds and API intermediates.

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   22
  • LogP   1.8012
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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