Methyl 4-chloro-3-formylbenzoate

CAS No. 1044920-98-0
Cat. No. CS-0104905
Purity≥97%
MDL No.MFCD16036863

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Methyl 4-chloro-3-formylbenzoate|CS-0104905

Structure of 1044920-98-0

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Description

Methyl 4-chloro-3-formylbenzoate features a strategically positioned formyl group flanked by electron-withdrawing chlorine and ester functionalities, enabling direct incorporation into Suzuki-Miyaura couplings and other transition-metal-catalyzed transformations. This ortho-selective reactivity profile supports efficient synthesis of complex aromatic scaffolds under standard conditions.

Application

Methyl 4-chloro-3-formylbenzoate serves as a versatile synthetic building block for the construction of functionalized heterocycles and pharmaceutical intermediates. The ortho-formyl and meta-chloro groups enable sequential functionalization, while the ester moiety offers compatibility with standard coupling and reduction protocols. Bench-stable and readily purified by column chromatography, it facilitates efficient access to complex scaffolds in medicinal chemistry and process development workflows.

General Information

CAS No. 1044920-98-0
Cat. No. CS-0104905
Purity ≥97%
MDL No. MFCD16036863
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇ClO₃
Molecular Weight 198.60
Synonym(s) None
SMILES O=C(OC)C1=CC=C(Cl)C(C=O)=C1

Computational Chemistry Data

TPSA 43.37
LogP 1.9391
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-chloro-3-formylbenzoate

CAS No. 1044920-98-0

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