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CS-W001157 4
Total: USD 88.00

3-(4-Chlorophenyl)oxetane-3-carboxylic acid

  • CAS No. 1393534-20-7

  • Cat. No. CS-0051742
  • Purity≥97%
  • MDL No.None

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

3-(4-Chlorophenyl)oxetane-3-carboxylic acid|CS-0051742

Structure of 1393534-20-7

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General Information

  • CAS No. 1393534-20-7
  • Cat. No. CS-0051742
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₃
  • Molecular Weight 212.63
  • Synonym(s) 3-(4-Chlorophenyl)-3-oxetanecarboxylic acid
  • SMILES OC(=O)C1(COC1)C1=CC=C(Cl)C=C1

Description

This oxetane carboxylic acid features a 4-chlorophenyl substituent that enhances lipophilicity and metabolic stability. The strained oxetane ring imparts high polarity and improved solubility, enabling efficient integration into bioactive molecules. Ideal for medicinal chemistry applications requiring balanced physicochemical properties.

Application

3-(4-Chlorophenyl)oxetane-3-carboxylic acid serves as a valuable building block in medicinal chemistry, enabling the incorporation of a rigid oxetane ring adjacent to a chlorophenyl moiety. Its carboxylic acid functionality facilitates direct amidation, esterification, or coupling reactions, while the oxetane ring enhances metabolic stability and solubility. The molecule exhibits good bench stability and functional group tolerance, supporting its use in diverse synthetic pathways for API 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.6926
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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