Methyl 2-chloro-5-methylisonicotinate

Name: Methyl 2-chloro-5-methylisonicotinate
Brand: ChemScene
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CAS No. 787596-43-4
Cat. No. CS-0112759
Purity≥98%
MDL No.None

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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-5-methylisonicotinate|CS-0112759

Structure of 787596-43-4

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Description

Methyl 2-chloro-5-methylisonicotinate is a bench-stable, moisture-tolerant heterocyclic ester featuring a chlorine atom at the 2-position and a methyl group at the 5-position of the pyridine ring. This electronic profile enhances reactivity in cross-coupling and functionalization processes, enabling efficient incorporation into complex molecular architectures under standard conditions.

Application

Methyl 2-chloro-5-methylisonicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine derivatives via cross-coupling and nucleophilic substitution reactions. The ortho-chloro group facilitates palladium-catalyzed coupling, while the methyl and ester functionalities provide sites for further functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry campaigns and process development.

General Information

CAS No. 787596-43-4
Cat. No. CS-0112759
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈ClNO₂
Molecular Weight 185.61
Synonym(s) 4-Pyridinecarboxylic acid, 2-chloro-5-methyl-, methyl ester
SMILES O=C(OC)C1=C(C)C=NC(Cl)=C1

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 : 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-5-methylisonicotinate

CAS No. 787596-43-4

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