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CS-W001157 4
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1-(2,5-Dichloropyridin-3-yl)ethan-1-one

  • CAS No. 594815-00-6

  • Cat. No. CS-0315778
  • Molecule weight190.03
  • Purity≥98%
  • MDL No.None

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

1-(2,5-Dichloropyridin-3-yl)ethan-1-one|CS-0315778

Structure of 594815-00-6

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General Information

  • CAS No. 594815-00-6
  • Cat. No. CS-0315778
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅Cl₂NO
  • Molecular Weight 190.03
  • Synonym(s) 1-(2,5-Dichloro-3-pyridinyl)-1-ethanone
  • SMILES CC(=O)C1=C(Cl)N=CC(=C1)Cl

Description

1-(2,5-Dichloropyridin-3-yl)ethan-1-one is a bench-stable ketone featuring a pyridine core substituted with chlorine atoms at the 2- and 5-positions. This electron-deficient heterocycle integrates readily into cross-coupling reactions, enabling efficient access to functionalized biaryls and complex pharmaceutical intermediates under standard conditions.

Application

1-(2,5-Dichloropyridin-3-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via nucleophilic substitution and cross-coupling reactions. The acetyl group provides a handle for derivatization, while the dichloropyridine core offers high reactivity in Pd-catalyzed couplings. Bench-stable and compatible with standard purification methods, it facilitates streamlined synthesis of bioactive molecules and API intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.591
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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