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5-Fluoro-benzooxazole-2-carboxylic acid

  • CAS No. 944898-49-1

  • Cat. No. CS-0340048
  • Purity≥95%
  • MDL No.MFCD10696576

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

5-Fluoro-benzooxazole-2-carboxylic acid|CS-0340048

Structure of 944898-49-1

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General Information

  • CAS No. 944898-49-1
  • Cat. No. CS-0340048
  • Purity ≥95%
  • MDL No. MFCD10696576
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₃
  • Molecular Weight 181.12
  • Synonym(s) 5-FLUORO-1,3-BENZOXAZOLE-2-CARBOXYLIC ACID
  • SMILES C1=CC2=C(C=C1F)N=C(C(=O)O)O2

Description

5-Fluoro-benzooxazole-2-carboxylic acid features a fluorinated benzooxazole core with a carboxylic acid at the 2-position, offering enhanced electron-withdrawing character and improved solubility in polar solvents. This structural motif enables efficient coupling reactions in pharmaceutical synthesis, particularly in constructing bioactive heterocycles under mild conditions.

Application

5-Fluoro-benzooxazole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard amide coupling and electrophilic substitution reactions. Its fluorinated aromatic core enhances metabolic stability and modulates electronic properties, while the carboxylic acid functionality facilitates direct conjugation or derivatization. The compound exhibits excellent bench stability and compatibility with common purification protocols, making it well-suited for high-throughput screening and lead optimization 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 : 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   63.33
  • LogP   1.6651
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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