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CS-W001157 4
Total: USD 88.00

2-(3-Fluorophenyl)-2-oxoacetic acid

  • CAS No. 79477-87-5

  • Cat. No. CS-0063908
  • Purity≥95%
  • MDL No.MFCD07698679

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

2-(3-Fluorophenyl)-2-oxoacetic acid|CS-0063908

Structure of 79477-87-5

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General Information

  • CAS No. 79477-87-5
  • Cat. No. CS-0063908
  • Purity ≥95%
  • MDL No. MFCD07698679
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FO₃
  • Molecular Weight None
  • Synonym(s) (3-fluorophenyl)(oxo)acetic acid
  • SMILES O=C(O)C(C1=CC=CC(F)=C1)=O

Description

2-(3-Fluorophenyl)-2-oxoacetic acid features a fluorinated aromatic ring conjugated to a reactive ketonic acetyl moiety, enabling direct integration into heterocyclic syntheses. This bench-stable, moisture-tolerant reagent facilitates efficient access to functionalized pyrazoles and oxazoles under mild conditions.

Application

2-(3-Fluorophenyl)-2-oxoacetic acid serves as a versatile building block for heterocyclic synthesis, particularly in the construction of quinoline and isoquinoline scaffolds. Its α-keto acid functionality enables efficient condensation reactions with amines and hydrazines, facilitating rapid access to bioactive nitrogen-containing frameworks. The 3-fluorophenyl group enhances metabolic stability and modulates electronic properties, improving target affinity in medicinal chemistry applications. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.093
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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