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CS-W001157 4
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3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid

  • CAS No. 693248-53-2

  • Cat. No. CS-W019723
  • Purity≥98%
  • MDL No.MFCD13193581

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

3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid|CS-W019723

Structure of 693248-53-2

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General Information

  • CAS No. 693248-53-2
  • Cat. No. CS-W019723
  • Purity ≥98%
  • MDL No. MFCD13193581
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃
  • Molecular Weight 128.13
  • Synonym(s) 3-Oxabicyclohexan-exo-6-carbonsaeure
  • SMILES O=C(C1C2COCC12)O

Description

3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid is a strained, bicyclic scaffold featuring a bridged oxygen atom and a carboxylic acid functional group. This rigid, electron-deficient framework enables selective reactivity in synthetic transformations, particularly in cycloadditions and as a chiral building block for complex molecule assembly.

Application

3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid serves as a rigid, bicyclic building block for medicinal chemistry and natural product synthesis. Its strained cyclohexane core with embedded oxygen and carboxylic acid functionality enables selective transformations, including derivatization of the carboxyl group and ring-opening reactions under mild conditions. The molecule exhibits good bench stability and facilitates efficient purification via crystallization, making it a practical scaffold for exploring stereocontrolled syntheses and heterocyclic ring systems in API development.

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   46.53
  • LogP   -0.0366
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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