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CS-W001157 4
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5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid

  • CAS No. 33282-16-5

  • Cat. No. CS-0085286
  • Purity≥98%
  • MDL No.MFCD02130994

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

5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid|CS-0085286

Structure of 33282-16-5

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General Information

  • CAS No. 33282-16-5
  • Cat. No. CS-0085286
  • Purity ≥98%
  • MDL No. MFCD02130994
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₄
  • Molecular Weight 219.19
  • Synonym(s) 5-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXYL&
  • SMILES O=C(C1=NOC(C2=CC=C(OC)C=C2)=C1)O

Description

This isoxazole derivative features a para-methoxyphenyl group that enhances solubility and modulates electronic properties. The carboxylic acid functionality enables direct conjugation or derivatization in synthetic routes. Designed for stability under standard conditions, it integrates efficiently into bioactive scaffolds and serves as a key intermediate in medicinal chemistry campaigns targeting heterocyclic frameworks.

Application

5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds via standard coupling and functionalization reactions. The isoxazole core exhibits excellent bench stability and compatibility with diverse reaction conditions, while the carboxylic acid functionality facilitates direct amidation, esterification, or metal-catalyzed cross-coupling. Its methoxy-substituted aryl group enhances solubility and provides a handle for further derivatization, making it well-suited for medicinal chemistry and process development workflows.

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 : H319
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   72.56
  • LogP   2.0484
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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