Methyl 3-bromo-2,4-dimethylbenzoate

Name: Methyl 3-bromo-2,4-dimethylbenzoate
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CAS No. 151859-37-9
Cat. No. CS-W022822
Molecule weight243.10
Purity≥98%
MDL No.MFCD22570370

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Methyl 3-bromo-2,4-dimethylbenzoate|CS-W022822

Structure of 151859-37-9

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General Information

CAS No. 151859-37-9
Cat. No. CS-W022822
Purity ≥98%
MDL No. MFCD22570370
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁BrO₂
Molecular Weight 243.10
Synonym(s) Benzoic acid, 3-bromo-2,4-dimethyl-, methyl ester
SMILES O=C(OC)C1=CC=C(C)C(Br)=C1C

Description

Methyl 3-bromo-2,4-dimethylbenzoate features a brominated aromatic core with strategically positioned methyl groups, enabling selective functionalization in cross-coupling reactions. The ester handle supports derivatization, while the sterically hindered substitution pattern enhances regiochemical control under standard conditions.

Application

Methyl 3-bromo-2,4-dimethylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the methyl ester facilitates selective transformations. Its ortho-methyl substituents provide steric control and enhance bench stability, enabling reliable use in multi-step syntheses. This compound functions effectively in standard coupling protocols, protecting group manipulations, and heterocycle construction.

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 26.3
LogP 2.85254
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-bromo-2,4-dimethylbenzoate

CAS No. 151859-37-9

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