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CS-W001157 4
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Methyl 6-chloro-2-methylnicotinate

  • CAS No. 851759-19-8

  • Cat. No. CS-0139259
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 6-chloro-2-methylnicotinate|CS-0139259

Structure of 851759-19-8

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General Information

  • CAS No. 851759-19-8
  • Cat. No. CS-0139259
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClNO₂
  • Molecular Weight 185.61
  • Synonym(s) Methyl 6-chloro-2-methylpyridine-3-carboxylate
  • SMILES O=C(C1=CC=C(Cl)N=C1C)OC

Description

Methyl 6-chloro-2-methylnicotinate is a halogenated pyridine ester featuring a chlorinated C6 position and a methyl-substituted C2 carbon. This electron-deficient heterocycle integrates readily into synthetic sequences requiring steric bulk and polarized ring systems. The methyl ester group enables direct derivatization or hydrolysis to the corresponding acid, facilitating downstream functionalization in medicinal chemistry and agrochemical development under standard conditions.

Application

Methyl 6-chloro-2-methylnicotinate serves as a versatile building block in the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-substituted pyridine core enables directed functionalization, while the methyl ester group facilitates selective transformations. The 6-chloro substituent provides a handle for palladium-catalyzed cross-coupling reactions, and the 2-methyl group enhances stability and influences regioselectivity. This compound exhibits excellent bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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   39.19
  • LogP   1.83002
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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