Methyl 4-bromo-3-hydroxy-2-methylbenzoate

Name: Methyl 4-bromo-3-hydroxy-2-methylbenzoate
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CAS No. 1149388-19-1
Cat. No. CS-0153678
Purity≥95%
MDL No.MFCD26389396

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Methyl 4-bromo-3-hydroxy-2-methylbenzoate|CS-0153678

Structure of 1149388-19-1

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General Information

CAS No. 1149388-19-1
Cat. No. CS-0153678
Purity ≥95%
MDL No. MFCD26389396
Storage Store at room temperature, keep dry and cool
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₃
Molecular Weight 245.07
Synonym(s) Benzoic acid, 4-bromo-3-hydroxy-2-methyl-, methyl ester
SMILES CC1=C(C(=CC=C1C(=O)OC)Br)O

Description

Methyl 4-bromo-3-hydroxy-2-methylbenzoate features a sterically hindered aromatic core with orthogonal functional groups enabling selective derivatization. The phenolic hydroxyl and methyl ester moieties, flanked by bromine and methyl substituents, support modular synthesis in medicinal chemistry and materials science under standard conditions.

Application

Methyl 4-bromo-3-hydroxy-2-methylbenzoate serves as a versatile building block for the synthesis of substituted benzoic acid derivatives and heterocyclic scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the phenolic hydroxyl and methyl substituents provide sites for selective derivatization. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient route design in medicinal chemistry and materials synthesis.

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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Computational Chemistry Data

TPSA 46.53
LogP 2.24972
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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 4-bromo-3-hydroxy-2-methylbenzoate

CAS No. 1149388-19-1

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