Ethyl 3-bromo-2-methylbenzoate

Name: Ethyl 3-bromo-2-methylbenzoate
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CAS No. 103038-43-3
Cat. No. CS-0112921
Purity≥98%
MDL No.MFCD09751941

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Ethyl 3-bromo-2-methylbenzoate|CS-0112921

Structure of 103038-43-3

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Description

Ethyl 3-bromo-2-methylbenzoate features a brominated aromatic ring with ortho-methyl and ester substituents, enabling direct functionalization in cross-coupling reactions. The electron-deficient bromine facilitates palladium-catalyzed transformations, while the ethyl ester group offers synthetic handle for further derivatization. This bench-stable reagent integrates efficiently into complex molecule assembly.

Application

Ethyl 3-bromo-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine electrophilicity. The ester and methyl groups offer orthogonal functional handles for further derivatization, while the benzoate core provides structural rigidity and compatibility with standard purification techniques. Its bench-stable nature facilitates reliable use in multi-step synthesis of complex scaffolds.

General Information

CAS No. 103038-43-3
Cat. No. CS-0112921
Purity ≥98%
MDL No. MFCD09751941
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-Methyl-, ethyl ester
SMILES CCOC(C1=CC=CC(Br)=C1C)=O

Computational Chemistry Data

TPSA 26.3
LogP 2.93422
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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

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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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Ethyl 3-bromo-2-methylbenzoate

CAS No. 103038-43-3

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