Methyl 4-bromo-2-chloro-6-methylbenzoate

Name: Methyl 4-bromo-2-chloro-6-methylbenzoate
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CAS No. 877149-10-5
Cat. No. CS-W022846
Purity≥98%
MDL No.MFCD09260942

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Methyl 4-bromo-2-chloro-6-methylbenzoate|CS-W022846

Structure of 877149-10-5

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Description

Methyl 4-bromo-2-chloro-6-methylbenzoate features a trifunctional aromatic core with strategically positioned halogens and a methyl group, enabling selective cross-coupling reactions. The electron-deficient ring facilitates palladium-catalyzed transformations, while the ester handle supports downstream derivatization. This bench-stable compound integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 4-bromo-2-chloro-6-methylbenzoate serves as a versatile ortho-functionalized building block in medicinal chemistry and agrochemical synthesis. Its bromo and chloro substituents enable palladium-catalyzed cross-coupling reactions, while the methyl group provides steric and electronic modulation. The ester functionality offers compatibility with standard reduction and derivatization protocols, facilitating access to diverse core structures. Bench-stable and readily purified by column chromatography, it supports scalable, reproducible synthetic workflows.

General Information

CAS No. 877149-10-5
Cat. No. CS-W022846
Purity ≥98%
MDL No. MFCD09260942
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrClO₂
Molecular Weight None
Synonym(s) oMo-2-chloro-6-Methyl-Benzoic acid Methyl ester
SMILES COC(=O)C1=C(Cl)C=C(Br)C=C1C

Computational Chemistry Data

TPSA 26.3
LogP 3.19752
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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 4-bromo-2-chloro-6-methylbenzoate

CAS No. 877149-10-5

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