Methyl 5-bromo-2,4-dimethylbenzoate

CAS No. 152849-72-4
Cat. No. CS-0153303
Purity≥97%
MDL No.MFCD11112985

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Methyl 5-bromo-2,4-dimethylbenzoate|CS-0153303

Structure of 152849-72-4

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Description

Methyl 5-bromo-2,4-dimethylbenzoate features a brominated aromatic core with strategically positioned methyl groups enhancing electronic and steric control. This bench-stable ester serves as a key intermediate in the synthesis of functionalized biaryls and pharmaceutical scaffolds, offering predictable reactivity in palladium-catalyzed cross-coupling processes under standard conditions.

Application

Methyl 5-bromo-2,4-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo substituent. The methyl ester functionality offers compatibility with standard hydrolysis and derivatization protocols. Its ortho-methyl groups provide steric control and enhance bench stability, facilitating purification and scalability in multi-step syntheses of complex aromatic systems.

General Information

CAS No. 152849-72-4
Cat. No. CS-0153303
Purity ≥97%
MDL No. MFCD11112985
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, 5-BROMO-2,4-DIMETHYL-, METHYL ESTER
SMILES CC1=CC(=C(C=C1C(=O)OC)Br)C

Computational Chemistry Data

TPSA 26.3
LogP 2.85254
H_Acceptors 2
H_Donors 0
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 Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 5-bromo-2,4-dimethylbenzoate

CAS No. 152849-72-4

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