Methyl 2-bromo-3-formylbenzoate

Name: Methyl 2-bromo-3-formylbenzoate
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CAS No. 750585-94-5
Cat. No. CS-0101083
Purity≥98%
MDL No.MFCD11110489

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Methyl 2-bromo-3-formylbenzoate|CS-0101083

Structure of 750585-94-5

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Description

Methyl 2-bromo-3-formylbenzoate features a strategically positioned formyl group flanked by bromine and ester functionalities, enabling direct incorporation into Suzuki-Miyaura and Negishi coupling cascades. This ortho-heteroatom arrangement enhances reactivity while maintaining stability under standard handling conditions.

Application

Methyl 2-bromo-3-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the formyl and bromo positions. Its ortho-substituted architecture supports palladium-catalyzed cross-coupling reactions and selective transformations under mild conditions. The methyl ester facilitates downstream derivatization, while the formyl group permits imine formation or reductive amination. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step synthesis of heterocyclic scaffolds and complex aromatic systems.

General Information

CAS No. 750585-94-5
Cat. No. CS-0101083
Purity ≥98%
MDL No. MFCD11110489
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrO₃
Molecular Weight 243.06
Synonym(s) methyl 2-bromo-3-chlorocrotonate
SMILES O=C(C1=CC=CC(C=O)=C1Br)OC

Computational Chemistry Data

TPSA 43.37
LogP 2.0482
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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-P330-P362+P364-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 2-bromo-3-formylbenzoate

CAS No. 750585-94-5

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