Methyl 4-chloro-2-formylbenzoate

Name: Methyl 4-chloro-2-formylbenzoate
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CAS No. 1001336-16-8
Cat. No. CS-0104582
Purity≥97%
MDL No.MFCD25459256

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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 4-chloro-2-formylbenzoate|CS-0104582

Structure of 1001336-16-8

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General Information

CAS No. 1001336-16-8
Cat. No. CS-0104582
Purity ≥97%
MDL No. MFCD25459256
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇ClO₃
Molecular Weight 198.60
Synonym(s) Benzoic acid, 4-chloro-2-formyl-, methyl ester
SMILES O=C(OC)C1=CC=C(Cl)C=C1C=O

Description

Methyl 4-chloro-2-formylbenzoate features a strategically positioned formyl group flanked by electron-withdrawing chlorine and ester functionalities, enabling direct incorporation into conjugated systems. This ortho-formylated scaffold facilitates efficient coupling reactions and serves as a key intermediate in synthesizing bioactive heterocycles and functional materials under standard conditions.

Application

Methyl 4-chloro-2-formylbenzoate serves as a versatile synthetic intermediate for the construction of biologically relevant heterocycles and functionalized aromatic systems. The ortho-formyl group enables efficient aldol and Mannich reactions, while the ester and chloro substituents provide orthogonal handles for further derivatization. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it well-suited for modular synthesis in medicinal chemistry and process development workflows.

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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Computational Chemistry Data

TPSA 43.37
LogP 1.9391
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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-2-formylbenzoate

CAS No. 1001336-16-8

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