Methyl 4-bromo-3,5-dimethylbenzoate

Name: Methyl 4-bromo-3,5-dimethylbenzoate
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CAS No. 432022-88-3
Cat. No. CS-0153721
Purity≥98%
MDL No.MFCD09833419

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Methyl 4-bromo-3,5-dimethylbenzoate|CS-0153721

Structure of 432022-88-3

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General Information

CAS No. 432022-88-3
Cat. No. CS-0153721
Purity ≥98%
MDL No. MFCD09833419
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁BrO₂
Molecular Weight 243.10
Synonym(s) Mehtyl 4-broMo-3,5-diMethylbenzoate
SMILES CC1=C(C(=CC(=C1)C(=O)OC)C)Br

Description

Methyl 4-bromo-3,5-dimethylbenzoate features a brominated aromatic core with two methyl groups positioned ortho to the ester functionality. This electron-deficient scaffold enables direct coupling in palladium-catalyzed cross-coupling reactions. The methyl ester group offers enhanced solubility and stability under standard conditions, facilitating efficient derivatization in synthetic sequences.

Application

Methyl 4-bromo-3,5-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo functionality. The methyl ester group provides stability and facilitates downstream transformations, while the meta-dimethyl substitution pattern offers predictable regiochemistry and steric control. This compound exhibits excellent bench stability and is readily purified by flash chromatography, making it ideal for use in medicinal chemistry and process development workflows.

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
Precautionary Statements : P264-P270-P330-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 4-bromo-3,5-dimethylbenzoate

CAS No. 432022-88-3

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