Methyl 2-chloro-3-methylisonicotinate

Name: Methyl 2-chloro-3-methylisonicotinate
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CAS No. 787596-41-2
Cat. No. CS-0081041
Purity≥98%
MDL No.MFCD08275065

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 2-chloro-3-methylisonicotinate|CS-0081041

Structure of 787596-41-2

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Description

Methyl 2-chloro-3-methylisonicotinate is a bench-stable, moisture-tolerant heterocyclic ester featuring a chlorine atom at the 2-position and a methyl group at the 3-position of the pyridine ring. This electronic profile enables efficient coupling in cross-coupling reactions, while the ester functionality facilitates downstream transformations. The compound integrates readily into complex molecular architectures requiring precise regiochemical control.

Application

Methyl 2-chloro-3-methylisonicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds. Its ortho-chloro and methyl groups facilitate directed metalation and electrophilic substitution, while the ester functionality supports subsequent transformations such as hydrolysis, reduction, or coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses for pharmaceutical intermediates and agrochemicals.

General Information

CAS No. 787596-41-2
Cat. No. CS-0081041
Purity ≥98%
MDL No. MFCD08275065
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈ClNO₂
Molecular Weight 185.61
Synonym(s) Methyl 2-Chloro-3-Methylpyridine-4-carboxylate
SMILES ClC1=NC=CC(C(OC)=O)=C1C

Computational Chemistry Data

TPSA 39.19
LogP 1.83002
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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 Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-chloro-3-methylisonicotinate

CAS No. 787596-41-2

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