Methyl 5-bromo-4-methoxy-2-methylbenzoate

Name: Methyl 5-bromo-4-methoxy-2-methylbenzoate
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CAS No. 1131587-94-4
Cat. No. CS-0061241
Purity≥97%
MDL No.MFCD11112987

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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 5-bromo-4-methoxy-2-methylbenzoate|CS-0061241

Structure of 1131587-94-4

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Description

Methyl 5-bromo-4-methoxy-2-methylbenzoate features a bromine substituent at the C5 position, flanked by a methoxy group at C4 and a methyl group at C2, creating a sterically congested yet electron-deficient aromatic core. This configuration enables selective cross-coupling reactions under palladium catalysis, delivering functionalized aryl derivatives with high regiocontrol. The ester handle facilitates downstream transformations, while the bench-stable nature ensures reliable handling in synthetic workflows.

Application

Methyl 5-bromo-4-methoxy-2-methylbenzoate serves as a versatile building block for late-stage functionalization in medicinal chemistry and agrochemical synthesis. Its ortho-methyl and meta-bromo substituents enable selective metal-catalyzed couplings, while the methoxy group offers compatibility with acid-sensitive transformations. The ester functionality facilitates downstream derivatization, and the molecule exhibits excellent bench stability and ease of purification in standard synthetic workflows.

General Information

CAS No. 1131587-94-4
Cat. No. CS-0061241
Purity ≥97%
MDL No. MFCD11112987
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁BrO₃
Molecular Weight 259.10
Synonym(s) Benzoic acid, 5-bromo-4-methoxy-2-methyl-, methyl ester
SMILES CC1=CC(=C(C=C1C(=O)OC)Br)OC

Computational Chemistry Data

TPSA 35.53
LogP 2.55272
H_Acceptors 3
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 : H315-H319
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 5-bromo-4-methoxy-2-methylbenzoate

CAS No. 1131587-94-4

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