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CS-W001157 4
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2-Chloro-6-methyl-4-nitropyridine

  • CAS No. 79055-51-9

  • Cat. No. CS-0064675
  • Purity≥98%
  • MDL No.MFCD14582081

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

2-Chloro-6-methyl-4-nitropyridine|CS-0064675

Structure of 79055-51-9

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General Information

  • CAS No. 79055-51-9
  • Cat. No. CS-0064675
  • Purity ≥98%
  • MDL No. MFCD14582081
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₂O₂
  • Molecular Weight 172.57
  • Synonym(s) Pyridine, 2-chloro-6-methyl-4-nitro-
  • SMILES O=[N+](C1=CC(Cl)=NC(C)=C1)[O-]

Description

2-Chloro-6-methyl-4-nitropyridine features a nitro group at C4 and a chlorine substituent at C2, creating a highly electron-deficient pyridine core. The methyl group at C6 provides steric stabilization, enhancing shelf-life and reactivity control. This compound serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, particularly where selective coupling or metal-catalyzed transformations are required.

Application

2-Chloro-6-methyl-4-nitropyridine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based heterocycles. The chloro group facilitates nucleophilic substitution under mild conditions, while the nitro and methyl functionalities provide orthogonal handles for further functionalization. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for modular synthesis workflows.

Synthesis

  • Route1

    References

    • PROSIDION LIMITED Patent: WO2005/85245 A1, 2005 ; Location in patent: Page/Page column 16 ;

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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Computational Chemistry Data

  • TPSA   56.03
  • LogP   1.95162
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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