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5-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid

  • CAS No. 81718-76-5

  • Cat. No. CS-0070961
  • Purity≥95%
  • MDL No.MFCD04448734

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

5-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid|CS-0070961

Structure of 81718-76-5

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General Information

  • CAS No. 81718-76-5
  • Cat. No. CS-0070961
  • Purity ≥95%
  • MDL No. MFCD04448734
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇FO₃
  • Molecular Weight None
  • Synonym(s) 5-FLUORO-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
  • SMILES O=C(O)C1=C(C)C2=CC(F)=CC=C2O1

Description

5-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid features a fluorinated benzofuran core with a methyl group at the 3-position and a carboxylic acid at the 2-position, delivering enhanced electronic properties and metabolic stability. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

5-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its fluorinated benzofuran core provides enhanced metabolic stability and modulated electronic properties, while the carboxylic acid functionality facilitates direct derivatization or incorporation into pharmaceutical scaffolds. The compound exhibits good bench stability and compatibility with common reaction conditions, supporting efficient purification and scalable synthesis workflows.

Safety Information

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.57852
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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