Methyl 4-bromo-2,3-dimethylbenzoate

Name: Methyl 4-bromo-2,3-dimethylbenzoate
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CAS No. 6021-32-5
Cat. No. CS-0153606
Purity≥98%
MDL No.MFCD23703480

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 4-bromo-2,3-dimethylbenzoate|CS-0153606

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General Information

CAS No. 6021-32-5
Cat. No. CS-0153606
Purity ≥98%
MDL No. MFCD23703480
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, 4-bromo-2,3-dimethyl-, methyl ester
SMILES CC1=C(C)C(=CC=C1C(=O)OC)Br

Description

Methyl 4-bromo-2,3-dimethylbenzoate features a bromine atom at the para position relative to the ester group, flanked by two methyl substituents ortho to each other. This electron-deficient aromatic core enables direct functionalization in cross-coupling reactions. The methyl ester moiety provides a stable handle for further derivatization. The compound exhibits excellent bench stability and solubility in common organic solvents.

Application

Methyl 4-bromo-2,3-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 compatibility with standard hydrolysis and reduction protocols, while the ortho-methyl substituents enhance steric control and electronic stability. This compound exhibits excellent bench stability and facilitates efficient purification, making it ideal for constructing complex aromatic scaffolds in medicinal chemistry and materials science applications.

Safety Information

Download SDS

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 4-bromo-2,3-dimethylbenzoate

CAS No. 6021-32-5

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