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CS-W001157 4
Total: USD 88.00

Oxetane-2-carboxylic acid

  • CAS No. 864373-47-7

  • Cat. No. CS-W006382
  • Purity≥97%
  • MDL No.MFCD08544406

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

Oxetane-2-carboxylic acid|CS-W006382

Structure of 864373-47-7

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General Information

  • CAS No. 864373-47-7
  • Cat. No. CS-W006382
  • Purity ≥97%
  • MDL No. MFCD08544406
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆O₃
  • Molecular Weight 102.09
  • Synonym(s) 2-Oxetanecarboxylic acid
  • SMILES C(=O)(C1OCC1)O

Description

Oxetane-2-carboxylic acid is a strained, four-membered cyclic ether bearing a carboxylic acid group at the 2-position. This structure imparts high reactivity in bioorthogonal conjugations and enables direct incorporation into peptide backbones. The oxetane ring facilitates rapid cyclization under physiological conditions while maintaining stability during storage and handling.

Application

Oxetane-2-carboxylic acid serves as a valuable building block in medicinal chemistry, enabling the incorporation of a strained, bioisostatic oxetane ring into drug candidates. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization under standard conditions. The molecule exhibits good bench stability and compatibility with diverse functional groups, making it suitable for modular synthesis of heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • EP1721905 A1, ; Page/Page column 42 ;

Safety Information

Download SDS
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   46.53
  • LogP   -0.1401
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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