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CS-W001157 4
Total: USD 88.00

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid

  • CAS No. 842973-74-4

  • Cat. No. CS-0639377
  • Purity≥97%
  • MDL No.None

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

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid|CS-0639377

Structure of 842973-74-4

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General Information

  • CAS No. 842973-74-4
  • Cat. No. CS-0639377
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆FNO₃
  • Molecular Weight 207.16
  • Synonym(s) None
  • SMILES O=C(C1=CC(C2=CC=CC=C2F)=NO1)O

Description

This isoxazole derivative features a 2-fluorophenyl group conjugated to a carboxylic acid-functionalized isoxazole core, enabling direct integration into bioactive scaffolds. The electron-deficient isoxazole ring facilitates efficient coupling reactions, while the ortho-fluoro substitution enhances metabolic stability and modulates electronic properties for targeted interactions in medicinal chemistry applications.

Application

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its ortho-fluoro substitution enhances metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates direct derivatization or conjugation. The molecule exhibits excellent bench stability and is compatible with common synthetic protocols, making it well-suited for lead optimization and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332-H317-H319-H341-H351-H370-H371-H373-H410
Precautionary Statements : P260-P261-P264-P270-P271-P272-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.1789
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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