6-Hydroxy-2-methylbenzofuran-3-carboxylic acid

CAS No. 854515-52-9
Cat. No. CS-0456411
Purity≥95%
MDL No.MFCD12547297

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6-Hydroxy-2-methylbenzofuran-3-carboxylic acid|CS-0456411

Structure of 854515-52-9

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Description

6-Hydroxy-2-methylbenzofuran-3-carboxylic acid features a fused benzofuran core with orthogonal hydroxyl and carboxylic acid functionalities, enabling direct conjugation or derivatization. The electron-rich aromatic system enhances reactivity in coupling processes, while the bench-stable hydroxyl group facilitates selective functionalization under mild conditions.

Application

6-Hydroxy-2-methylbenzofuran-3-carboxylic acid serves as a versatile scaffold for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its orthogonal functional groups—phenolic hydroxyl, carboxylic acid, and methyl substituent—enable selective derivatization via esterification, amidation, or Suzuki coupling. The molecule exhibits good bench stability and facilitates efficient purification by recrystallization or column chromatography, making it well-suited for iterative medicinal chemistry campaigns and process development.

General Information

CAS No. 854515-52-9
Cat. No. CS-0456411
Purity ≥95%
MDL No. MFCD12547297
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈O₄
Molecular Weight 192.17
Synonym(s) 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
SMILES CC1=C(C2=C(C=C(C=C2)O)O1)C(=O)O

Computational Chemistry Data

TPSA 70.67
LogP 2.14502
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Furan compounds

Key Words

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6-Hydroxy-2-methylbenzofuran-3-carboxylic acid

CAS No. 854515-52-9

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