Methyl 3-bromo-4-methylbenzoate

Name: Methyl 3-bromo-4-methylbenzoate
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CAS No. 104901-43-1
Cat. No. CS-W005030
Purity≥96%
MDL No.MFCD00144769

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-bromo-4-methylbenzoate|CS-W005030

Structure of 104901-43-1

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Description

Methyl 3-bromo-4-methylbenzoate features a bromine substituent at the meta position relative to the ester group, with a methyl group at the para position. This electron-deficient aromatic system enables direct functionalization in cross-coupling reactions. The ester moiety offers solubility and stability under standard conditions, facilitating use in synthetic organic chemistry workflows.

Application

Methyl 3-bromo-4-methylbenzoate serves as a versatile building block for Suzuki-Miyaura and Stille couplings, enabling efficient access to substituted biaryl and heteroaryl scaffolds. The bromine atom exhibits high reactivity under palladium-catalyzed conditions, while the methyl ester and methyl group provide orthogonal functional handles for further derivatization. Bench-stable and readily purified by column chromatography, it facilitates scalable synthesis in medicinal chemistry and materials science applications.

General Information

CAS No. 104901-43-1
Cat. No. CS-W005030
Purity ≥96%
MDL No. MFCD00144769
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₂
Molecular Weight 229.07
Synonym(s) Methyl 4-Methyl-3-Bromobenzoate; Methyl 3-bromo-4-methylbenzoate
SMILES C1=C(C=CC(=C1Br)C)C(OC)=O

Computational Chemistry Data

TPSA 26.3
LogP 2.54412
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 3-bromo-4-methylbenzoate

CAS No. 104901-43-1

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