Methyl 4-bromo-3-formylbenzoate

Name: Methyl 4-bromo-3-formylbenzoate
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CAS No. 858124-35-3
Cat. No. CS-0133836
Purity≥95%
MDL No.MFCD16036866

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 4-bromo-3-formylbenzoate|CS-0133836

Structure of 858124-35-3

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General Information

CAS No. 858124-35-3
Cat. No. CS-0133836
Purity ≥95%
MDL No. MFCD16036866
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrO₃
Molecular Weight 243.05
Synonym(s) Benzoic acid, 4-bromo-3-formyl-, methyl ester
SMILES O=C(OC)C1=CC=C(Br)C(C=O)=C1

Description

Methyl 4-bromo-3-formylbenzoate features a formyl group ortho to a brominated aromatic ring, enabling direct functionalization in cross-coupling and cyclization reactions. The methyl ester facilitates selective derivatization while maintaining compatibility with diverse reaction conditions. This electron-deficient aryl scaffold serves as a key intermediate for synthesizing bioactive heterocycles and advanced pharmaceutical building blocks under standard bench protocols.

Application

Methyl 4-bromo-3-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. The formyl group facilitates nucleophilic additions and condensation reactions, while the bromo substituent supports palladium-catalyzed cross-couplings. Its methyl ester functionality offers compatibility with standard reduction and functionalization protocols, making it well-suited for medicinal chemistry and process development workflows requiring orthogonal reactivity.

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 43.37
LogP 2.0482
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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 4-bromo-3-formylbenzoate

CAS No. 858124-35-3

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