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CS-W001157 4
Total: USD 88.00

3-Phenyloxetane-3-carboxylic acid

  • CAS No. 114012-42-9

  • Cat. No. CS-0045515
  • Purity≥98%
  • MDL No.None

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

3-Phenyloxetane-3-carboxylic acid|CS-0045515

Structure of 114012-42-9

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General Information

  • CAS No. 114012-42-9
  • Cat. No. CS-0045515
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) 3-Phenyl-3-oxetanecarboxylic Acid
  • SMILES O=C(C1(C2=CC=CC=C2)COC1)O

Description

3-Phenyloxetane-3-carboxylic acid features a strained oxetane ring fused to a phenyl group and a carboxylic acid moiety, enabling efficient cycloaddition reactions. This structural motif delivers high reactivity in bioorthogonal labeling and polymer functionalization under physiological conditions. The carboxylic acid facilitates conjugation via amine coupling or esterification.

Application

3-Phenyloxetane-3-carboxylic acid serves as a stable, bench-ready building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its oxetane ring imparts high reactivity in nucleophilic additions and facilitates metabolic stability in drug candidates. The carboxylic acid group enables direct derivatization via standard coupling reactions, while the phenyl substituent enhances solubility and provides a handle for further functionalization. Functions effectively in both small-molecule discovery and process-scale applications.

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   46.53
  • LogP   1.0392
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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