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CS-W001157 4
Total: USD 88.00

2-(4-Chlorophenyl)-2-oxoacetic acid

  • CAS No. 7099-88-9

  • Cat. No. CS-0038382
  • Purity≥98%
  • MDL No.None

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

2-(4-Chlorophenyl)-2-oxoacetic acid|CS-0038382

Structure of 7099-88-9

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General Information

  • CAS No. 7099-88-9
  • Cat. No. CS-0038382
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClO₃
  • Molecular Weight 184.58
  • Synonym(s) benzeneacetic acid, 4-chloro-alpha-oxo-
  • SMILES C1=C(C=CC(=C1)Cl)C(=O)C(=O)O

Description

2-(4-Chlorophenyl)-2-oxoacetic acid features a chlorinated aryl moiety flanking a β-keto acid functional group, enabling direct participation in condensation and cyclization reactions. This structure delivers enhanced reactivity in synthetic pathways requiring electrophilic aromatic substitution or enolate formation, with bench-stable handling under standard conditions.

Application

2-(4-Chlorophenyl)-2-oxoacetic acid serves as a versatile building block in medicinal chemistry, enabling efficient synthesis of β-keto acids and their derived heterocycles. Its well-established reactivity facilitates transformations such as decarboxylation, condensation, and cyclization under standard conditions. The molecule exhibits bench stability and compatibility with common functional groups, making it suitable for iterative synthesis workflows and scale-up 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-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   54.37
  • LogP   1.6073
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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