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CS-W001157 4
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Methyl oxetane-3-carboxylate

  • CAS No. 1638760-80-1

  • Cat. No. CS-0045513
  • Purity≥96%
  • MDL No.MFCD22566365

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

Methyl oxetane-3-carboxylate|CS-0045513

Structure of 1638760-80-1

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General Information

  • CAS No. 1638760-80-1
  • Cat. No. CS-0045513
  • Purity ≥96%
  • MDL No. MFCD22566365
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight None
  • Synonym(s) 3-Oxetanecarboxylic acid, methyl ester
  • SMILES O=C(C1COC1)OC

Description

Methyl oxetane-3-carboxylate is a strained, four-membered cyclic ether bearing a carboxylate ester functionality. This scaffold integrates readily into diverse synthetic transformations due to its high ring strain and stability under standard conditions. The molecule features a polar yet hydrophobic core, enabling efficient incorporation into bioactive compounds and polymer architectures. Its reactivity profile supports conjugation strategies in medicinal chemistry and materials science.

Application

Methyl oxetane-3-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of bioactive heterocycles. Its strained oxetane ring facilitates nucleophilic ring-opening reactions, while the ester functionality supports standard transformations such as reduction and hydrolysis. The molecule exhibits good bench stability and functional group tolerance, making it well-suited for iterative synthesis workflows in medicinal chemistry and process 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   35.53
  • LogP   -0.1942
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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