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Ethyl azetidine-3-carboxylate (hydrochloride)

  • CAS No. 405090-31-5

  • Cat. No. CS-0045521
  • Molecule weight165.62
  • Purity≥97%
  • MDL No.MFCD10687181

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

Ethyl azetidine-3-carboxylate (hydrochloride)|CS-0045521

Structure of 405090-31-5

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General Information

  • CAS No. 405090-31-5
  • Cat. No. CS-0045521
  • Purity ≥97%
  • MDL No. MFCD10687181
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂ClNO₂
  • Molecular Weight 165.62
  • Synonym(s) None
  • SMILES O=C(C1CNC1)OCC.[H]Cl

Description

Ethyl azetidine-3-carboxylate (hydrochloride) delivers a conformationally constrained, nitrogen-rich heterocycle ideal for peptide backbone modification. The hydrochloride salt enhances solubility and stability in aqueous and polar organic media, enabling straightforward integration into synthetic sequences. This bench-stable derivative facilitates efficient incorporation of strained azetidine units into bioactive molecules.

Application

Ethyl azetidine-3-carboxylate (hydrochloride) serves as a versatile chiral building block in medicinal chemistry, enabling efficient access to azetidine-containing scaffolds prevalent in bioactive molecules. Its stability under standard reaction conditions and compatibility with diverse coupling and functionalization protocols facilitate rapid late-stage modification. The hydrochloride salt enhances solubility and handling, simplifying purification and integration into multi-step syntheses of API candidates.

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   0.1907
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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