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tert-Butyl azetidine-3-carboxylate hydrochloride

  • CAS No. 53871-08-2

  • Cat. No. CS-0043117
  • Molecule weight193.67
  • Purity≥95%
  • MDL No.None

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

tert-Butyl azetidine-3-carboxylate hydrochloride|CS-0043117

Structure of 53871-08-2

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General Information

  • CAS No. 53871-08-2
  • Cat. No. CS-0043117
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆ClNO₂
  • Molecular Weight 193.67
  • Synonym(s) tert-Butyl azetidine-3-carboxylate HCl
  • SMILES O=C(C1CNC1)OC(C)(C)C.[H]Cl

Description

tert-Butyl azetidine-3-carboxylate hydrochloride delivers a stable, moisture-tolerant scaffold for medicinal chemistry. The protected azetidine ring integrates readily into bioactive molecules, offering enhanced metabolic stability and favorable conformational control in peptide mimetics and kinase inhibitors.

Application

tert-Butyl azetidine-3-carboxylate hydrochloride serves as a stable, bench-ready building block for the synthesis of azetidine-containing pharmaceuticals and bioactive molecules. Its protected amine functionality enables straightforward N-alkylation and palladium-catalyzed coupling reactions, while the strained azetidine ring facilitates nucleophilic displacement and cyclization processes. The tert-butyl ester group offers excellent stability and ease of removal under mild acidic conditions, making it ideal for iterative synthetic sequences in medicinal chemistry.

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   38.33
  • LogP   0.9693
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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