Methyl 3-bromo-4-formylbenzoate

Name: Methyl 3-bromo-4-formylbenzoate
Brand: ChemScene
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CAS No. 90484-53-0
Cat. No. CS-0041512
Purity≥97%
MDL No.None

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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 3-bromo-4-formylbenzoate|CS-0041512

Structure of 90484-53-0

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Description

Methyl 3-bromo-4-formylbenzoate features a bromine atom at the meta position and a formyl group at the para position relative to the methyl ester, enabling diverse cross-coupling and functionalization strategies. This bench-stable derivative integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 3-bromo-4-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions at the bromo position and formyl-directed functionalization. Its dual reactive handles—electrophilic bromide and aldehyde—facilitate sequential transformations, including Suzuki-Miyaura coupling and reductive amination, with excellent bench stability and straightforward purification. This compound functions as a key intermediate in the synthesis of substituted aromatic scaffolds relevant to medicinal chemistry and materials science.

General Information

CAS No. 90484-53-0
Cat. No. CS-0041512
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrO₃
Molecular Weight 243.05
Synonym(s) methyl3-bromo-4-formylbenzoate
SMILES COC(=O)C1=CC(Br)=C(C=O)C=C1

Computational Chemistry Data

TPSA 43.37
LogP 2.0482
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 : 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 Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-bromo-4-formylbenzoate

CAS No. 90484-53-0

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