Methyl 2,6-dichloro-4-methylnicotinate

CAS No. 1013648-04-8
Cat. No. CS-0061273
Purity≥98%
MDL No.None

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Methyl 2,6-dichloro-4-methylnicotinate|CS-0061273

Structure of 1013648-04-8

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Description

Methyl 2,6-dichloro-4-methylnicotinate is a bench-stable, electron-deficient heterocyclic ester featuring two chlorine substituents at the 2 and 6 positions and a methyl group at the 4 position. This structural configuration enhances its utility in synthetic transformations requiring controlled reactivity, particularly in cross-coupling reactions and medicinal chemistry scaffolds. The molecule integrates readily into complex molecular architectures due to its stability under standard conditions and predictable regiochemistry.

Application

Methyl 2,6-dichloro-4-methylnicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds. Its orthogonal functional groups facilitate selective transformations, while the methyl and ester moieties offer compatibility with standard coupling and reduction protocols. Bench-stable and readily purified, it functions effectively in medicinal chemistry campaigns requiring halogenated nicotinate intermediates.

General Information

CAS No. 1013648-04-8
Cat. No. CS-0061273
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇Cl₂NO₂
Molecular Weight 220.05
Synonym(s) 3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-, methyl ester
SMILES CC1=CC(=NC(=C1C(=O)OC)Cl)Cl

Computational Chemistry Data

TPSA 39.19
LogP 2.48342
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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 Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2,6-dichloro-4-methylnicotinate

CAS No. 1013648-04-8

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