Methyl 2-chloro-6-methylpyridine-4-carboxylate

Name: Methyl 2-chloro-6-methylpyridine-4-carboxylate
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CAS No. 3998-90-1
Cat. No. CS-D0956
Purity≥97%
MDL No.MFCD04038391

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Methyl 2-chloro-6-methylpyridine-4-carboxylate|CS-D0956

Structure of 3998-90-1

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Description

Methyl 2-chloro-6-methylpyridine-4-carboxylate features a pyridine core with orthogonal electron-withdrawing and electron-donating substituents, enabling selective functionalization. The ester group provides synthetic handle for downstream derivatization, while the chloro and methyl moieties offer tunable reactivity in cross-coupling and cyclization processes. Bench-stable and compatible with standard reaction conditions.

Application

Methyl 2-chloro-6-methylpyridine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive chloropyridine moiety. The methyl and ester groups provide orthogonal functional handles for further derivatization, while the compound exhibits excellent bench stability and ease of purification. Its defined regiochemistry supports predictable transformations in medicinal chemistry and agrochemical scaffold development.

General Information

CAS No. 3998-90-1
Cat. No. CS-D0956
Purity ≥97%
MDL No. MFCD04038391
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈ClNO₂
Molecular Weight 185.61
Synonym(s) Methyl 2-chloro-6-methylisonicotinate
SMILES O=C(C1=CC(Cl)=NC(C)=C1)OC

Computational Chemistry Data

TPSA 39.19
LogP 1.83002
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H315-H317-H318-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-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-chloro-6-methylpyridine-4-carboxylate

CAS No. 3998-90-1

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