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2-Oxabicyclo[2.1.1]hexane-1-carboxylic acid

  • CAS No. 2228699-81-6

  • Cat. No. CS-0134179
  • Purity≥98%
  • MDL No.None

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

2-Oxabicyclo[2.1.1]hexane-1-carboxylic acid|CS-0134179

Structure of 2228699-81-6

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General Information

  • CAS No. 2228699-81-6
  • Cat. No. CS-0134179
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃
  • Molecular Weight 128.13
  • Synonym(s) None
  • SMILES O=C(C1(C2)OCC2C1)O

Description

2-Oxabicyclo[2.1.1]hexane-1-carboxylic acid delivers a rigid, strained bicyclic scaffold that enhances molecular conformational control. This unique framework integrates a carboxylic acid group at the bridgehead position, enabling direct coupling in synthetic transformations. The compound exhibits high thermal stability and facilitates efficient derivatization under mild conditions.

Application

2-Oxabicyclo[2.1.1]hexane-1-carboxylic acid serves as a versatile, bench-stable building block for the synthesis of strained bicyclic systems and bioactive heterocycles. Its rigid, polar core enables selective functionalization at the carboxylic acid group, facilitating amide bond formation and derivatization under mild conditions. The molecule exhibits excellent functional group tolerance and facilitates efficient access to complex scaffolds in medicinal chemistry and materials science 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   0.25
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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