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CS-W001157 4
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(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride

  • CAS No. 31560-06-2

  • Cat. No. CS-W019161
  • Purity≥96%
  • MDL No.MFCD01569249

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

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride|CS-W019161

Structure of 31560-06-2

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General Information

  • CAS No. 31560-06-2
  • Cat. No. CS-W019161
  • Purity ≥96%
  • MDL No. MFCD01569249
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀ClNO
  • Molecular Weight 135.59
  • Synonym(s) (1S,4S)-3-oxa-6-azabicyclo[2.2.1]heptane hydrochloride
  • SMILES [C@H]12CN[C@@H](C2)CO1.Cl

Description

This bicyclic scaffold features a constrained heterocyclic core with embedded oxygen and nitrogen atoms, enabling precise spatial orientation for synthetic applications. The hydrochloride salt enhances solubility and stability under standard conditions, facilitating use in medicinal chemistry workflows.

Application

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride serves as a conformationally constrained scaffold for medicinal chemistry, enabling the study of stereocontrolled interactions in bioactive molecules. Its rigid bicyclic structure supports diverse functionalization at the 2- and 5-positions, with demonstrated compatibility in amide coupling, nucleophilic substitution, and hydrogenation reactions. The hydrochloride salt enhances bench stability and solubility, facilitating purification and handling in multi-step syntheses.

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   21.26
  • LogP   0.1689
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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