5-Bromo-3-methylbenzofuran-2-carboxylic acid

Name: 5-Bromo-3-methylbenzofuran-2-carboxylic acid
Brand: ChemScene
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CAS No. 50638-08-9
Cat. No. CS-0062562
Purity≥97%
MDL No.MFCD03965820

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Bromo-3-methylbenzofuran-2-carboxylic acid|CS-0062562

Structure of 50638-08-9

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Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, delivering functionalized heterocycles with high efficiency. The para-bromo substituent enables selective palladium-catalyzed transformations, while the carboxylic acid group provides a handle for derivatization or conjugation. Bench-stable and moisture-tolerant, this compound supports streamlined synthesis in medicinal chemistry and materials science applications.

Application

5-Bromo-3-methylbenzofuran-2-carboxylic acid serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive scaffolds. The carboxylic acid group enables direct amidation, esterification, or coupling reactions, while the bromine atom facilitates palladium-catalyzed cross-couplings. Its methyl substituent provides steric and electronic modulation, enhancing solubility and reactivity in iterative synthetic sequences. Bench-stable and readily purified by recrystallization, it supports efficient downstream transformations in medicinal chemistry and materials development.

General Information

CAS No. 50638-08-9
Cat. No. CS-0062562
Purity ≥97%
MDL No. MFCD03965820
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇BrO₃
Molecular Weight 255.06
Synonym(s) 5-bromo-3-methyl-benzofuran-2-carboxylic Acid
SMILES O=C(C1=C(C)C2=CC(Br)=CC=C2O1)O

Computational Chemistry Data

TPSA 50.44
LogP 3.20192
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
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Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Benzofuran compounds

Key Words

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5-Bromo-3-methylbenzofuran-2-carboxylic acid

CAS No. 50638-08-9

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