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CS-W001157 4
Total: USD 88.00

1-(2,3-Dichlorophenyl)ethanone

  • CAS No. 56041-57-7

  • Cat. No. CS-W005790
  • Purity≥98%
  • MDL No.MFCD00052988

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

1-(2,3-Dichlorophenyl)ethanone|CS-W005790

Structure of 56041-57-7

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General Information

  • CAS No. 56041-57-7
  • Cat. No. CS-W005790
  • Purity ≥98%
  • MDL No. MFCD00052988
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂O
  • Molecular Weight 189.04
  • Synonym(s) 2',3'-Dichloroacetophenone
  • SMILES CC(C1=CC=CC(Cl)=C1Cl)=O

Description

1-(2,3-Dichlorophenyl)ethanone features a dichlorinated aromatic ring fused to a ketone-bearing ethyl side chain, delivering enhanced lipophilicity and metabolic stability. This configuration supports direct integration into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS-penetrant molecules. The ortho-dichloro substitution pattern influences electronic distribution and steric profile, enabling predictable reactivity in nucleophilic addition and coupling processes under standard conditions.

Application

1-(2,3-Dichlorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. Its aryl ketone functionality supports standard transformations including nucleophilic additions, reductions, and coupling reactions. The dichloro substitution pattern enhances metabolic stability and modulates lipophilicity, offering favorable properties for drug discovery applications. This compound exhibits excellent bench stability and is compatible with common purification methods.

Synthesis

  • Route1
    • null|null
      95-50-1
    • ~75%
    • In-stock
      1-(2,3-Dichlorophenyl)ethanone|CS-W005790
      56041-57-7

    References

    • Glaxo Wellcome Inc. Patent: US5925755 A1, 1999 ;
  • Route2
    • In-stock
      2,3-Dichlorobenzonitrile|CS-W017634
      6574-97-6
    • null|null
      75-16-1
    • ~%
    • In-stock
      1-(2,3-Dichlorophenyl)ethanone|CS-W005790
      56041-57-7

    References

    • Journal of medicinal chemistry, , vol. 16, # 2 p. 101 - 106
  • Route3
    • null|null
      917-64-6
    • In-stock
      2,3-Dichlorobenzonitrile|CS-W017634
      6574-97-6
    • ~%
    • In-stock
      1-(2,3-Dichlorophenyl)ethanone|CS-W005790
      56041-57-7

    References

    • Roczniki Chemii, , vol. 49, p. 143 - 150

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.196
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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