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

Name: 5-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid
Brand: ChemScene
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CAS No. 81718-76-5
Cat. No. CS-0070961
Purity≥95%
MDL No.MFCD04448734

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

Structure of 81718-76-5

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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.

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

Computational Chemistry Data

TPSA 50.44
LogP 2.57852
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Benzofuran compounds

Key Words

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

CAS No. 81718-76-5

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