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CS-W001157 4
Total: USD 88.00

3-Oxocyclobutanecarboxylic acid

  • CAS No. 23761-23-1

  • Cat. No. CS-D1519
  • Purity≥97%
  • MDL No.MFCD00100900

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

3-Oxocyclobutanecarboxylic acid|CS-D1519

Structure of 23761-23-1

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General Information

  • CAS No. 23761-23-1
  • Cat. No. CS-D1519
  • Purity ≥97%
  • MDL No. MFCD00100900
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆O₃
  • Molecular Weight 114.10
  • Synonym(s) (3-Oxocyclobutyl)carboxylic acid; 3-Oxo-1-cyclobutanecarboxylic acid; Cyclobutanecarboxylic Acid, 3-Oxo-
  • SMILES O=C(C1CC(C1)=O)O

Description

3-Oxocyclobutanecarboxylic acid features a strained cyclobutane ring bearing a ketone and carboxylic acid group, enabling direct functionalization at the alpha position. This configuration supports efficient derivatization in synthetic routes to bioactive heterocycles and serves as a key intermediate in medicinal chemistry campaigns targeting cyclic scaffolds with enhanced metabolic stability.

Application

3-Oxocyclobutanecarboxylic acid serves as a versatile building block in synthetic organic chemistry, enabling access to strained cyclobutane scaffolds and functionalized heterocycles. Its α,β-unsaturated ketone functionality facilitates Michael additions, aldol reactions, and transition-metal-catalyzed cyclizations. The carboxylic acid group supports direct derivatization or activation for amide bond formation, while the molecule exhibits sufficient bench stability for routine handling and purification.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.0501
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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