Methyl 3-bromo-4-hydroxybenzoate

CAS No. 29415-97-2
Cat. No. CS-W007901
Purity≥97%
MDL No.MFCD06203850

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Methyl 3-bromo-4-hydroxybenzoate|CS-W007901

Structure of 29415-97-2

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Description

Methyl 3-bromo-4-hydroxybenzoate features a bromine atom at the meta position relative to the hydroxyl group, creating a uniquely reactive site for cross-coupling transformations. The ester functionality enables direct integration into synthetic sequences without additional protection steps. This bench-stable compound serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

Methyl 3-bromo-4-hydroxybenzoate serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the hydroxyl and ester functionalities offer orthogonal handles for selective derivatization. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring precise regiocontrol.

General Information

CAS No. 29415-97-2
Cat. No. CS-W007901
Purity ≥97%
MDL No. MFCD06203850
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrO₃
Molecular Weight 231.04
Synonym(s) Methyl 3-bromo-4-hydroxybenzoayl)carbaMate
SMILES O=C(OC)C1=CC=C(O)C(Br)=C1

Computational Chemistry Data

TPSA 46.53
LogP 1.9413
H_Acceptors 3
H_Donors 1
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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-bromo-4-hydroxybenzoate

CAS No. 29415-97-2

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