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1-(5-Bromo-4-methylpyridin-2-yl)ethan-1-one

  • CAS No. 1413285-68-3

  • Cat. No. CS-0102116
  • Molecule weight214.06
  • Purity≥98%
  • MDL No.MFCD27981362

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

1-(5-Bromo-4-methylpyridin-2-yl)ethan-1-one|CS-0102116

Structure of 1413285-68-3

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General Information

  • CAS No. 1413285-68-3
  • Cat. No. CS-0102116
  • Purity ≥98%
  • MDL No. MFCD27981362
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO
  • Molecular Weight 214.06
  • Synonym(s) 1-(5-BroMo-4-Methylpyridin-2-yl)ethanone
  • SMILES CC(C1=NC=C(C(C)=C1)Br)=O

Description

This 1-(5-bromo-4-methylpyridin-2-yl)ethan-1-one features a brominated pyridine core paired with a methyl group and a ketone side chain, enabling direct integration into cross-coupling reactions. The electron-deficient pyridine ring facilitates palladium-catalyzed transformations, while the bench-stable ketone moiety supports straightforward functionalization in synthetic sequences.

Application

1-(5-Bromo-4-methylpyridin-2-yl)ethan-1-one serves as a versatile building block in cross-coupling chemistry, enabling efficient construction of biaryl and heteroaryl architectures. The bromopyridyl moiety facilitates palladium-catalyzed coupling reactions with broad functional group tolerance, while the acetyl group provides a handle for further derivatization. Its bench-stable nature and compatibility with standard synthetic workflows make it ideal for medicinal chemistry and process development applications.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.35512
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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