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1-(4,6-Dichloro-3-pyridyl)propan-1-one

  • CAS No. 166525-49-1

  • Cat. No. CS-0310047
  • Purity≥98%
  • MDL No.None

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

1-(4,6-Dichloro-3-pyridyl)propan-1-one|CS-0310047

Structure of 166525-49-1

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General Information

  • CAS No. 166525-49-1
  • Cat. No. CS-0310047
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇Cl₂NO
  • Molecular Weight 204.05
  • Synonym(s) None
  • SMILES CCC(=O)C1=C(Cl)C=C(Cl)N=C1

Description

1-(4,6-Dichloro-3-pyridyl)propan-1-one features a pyridyl core bearing two chlorine substituents at the 4- and 6-positions, providing enhanced electron-withdrawing character. The acetyl side chain offers a reactive carbonyl for nucleophilic addition, enabling direct incorporation into heterocyclic frameworks. This structure supports efficient conjugation in synthetic intermediates requiring halogenated aromatic handles.

Application

1-(4,6-Dichloro-3-pyridyl)propan-1-one serves as a versatile building block in medicinal chemistry, enabling the construction of pyridine-containing scaffolds via nucleophilic addition and condensation reactions. Its dichloropyridyl core provides enhanced electrophilicity at the C4 and C6 positions, facilitating functionalization in late-stage diversification. The ketone functionality offers direct access to α-alkylated or β-amino derivatives under mild conditions. Bench-stable and compatible with standard purification methods, it functions reliably in multistep syntheses targeting bioactive heterocycles.

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   29.96
  • LogP   2.9811
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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