Cas no 60323-95-7 (Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide)

2-Chloro-3-methyl-4-nitropyridine 1-oxide is a nitropyridine derivative with a chloromethyl substitution pattern and an N-oxide functional group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both electron-withdrawing (nitro and chloro) and electron-donating (methyl) substituents on the pyridine ring enhances its reactivity in nucleophilic and electrophilic substitution reactions. The N-oxide moiety further modifies its electronic properties, making it useful in heterocyclic transformations. Its well-defined structure and functional group compatibility contribute to its role in constructing complex molecular frameworks. Proper handling is required due to potential reactivity and stability considerations.
Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide structure
60323-95-7 structure
Product Name:Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide
CAS No:60323-95-7
MF:C6H5ClN2O3
MW:188.56850028038
CID:498132
Update Time:2026-04-29

Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide
    • 2-chloro-3-methyl-4-nitro-1-oxidopyridin-1-ium
    • 2-Chloro-3-methyl-4-nitropyridine 1-oxide
    • 2-Chlor-3-methyl-4-nitro-pyridin-1-oxid
    • 2-chloro-3-methyl-4-nitropyridine N-oxide
    • 2-chloro-3-methyl-4-nitro-pyridine-1-oxide
    • AC1MBJRY
    • ACMC-209mj8
    • ANW-33474
    • CTK2F0743
    • WT1495
    • Inchi: InChI=1S/C6H5ClN2O3/c1-4-5(9(11)12)2-3-8(10)6(4)7/h2-3H,1H3
    • InChI Key: HFWNDVWSHMKOQY-UHFFFAOYSA-N
    • SMILES: CC1=C(Cl)[N+](=CC=C1[N+](=O)[O-])[O-]

Computed Properties

  • Exact Mass: 187.99895
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1

Experimental Properties

  • Density: 1.53
  • Melting Point: 145-146 oC
  • PSA: 70.08

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Additional information on Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide

Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide (CAS No: 60323-95-7)

Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide is a highly specialized organic compound with the CAS registry number 60323-95-7. This compound belongs to the class of pyridine derivatives, which are widely studied for their unique chemical properties and potential applications in various fields such as pharmaceuticals, agrochemicals, and materials science. The structure of this compound features a pyridine ring with three substituents: a chlorine atom at position 2, a methyl group at position 3, and a nitro group at position 4. Additionally, the presence of an oxide functional group further enhances its reactivity and versatility in chemical reactions.

The synthesis of Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide involves a series of carefully controlled reactions to ensure the precise placement of substituents on the pyridine ring. Recent advancements in synthetic methodologies have enabled chemists to achieve higher yields and better purity levels for this compound. For instance, researchers have explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining product quality. This approach not only improves efficiency but also reduces environmental impact by minimizing solvent usage.

One of the most intriguing aspects of this compound is its reactivity under various conditions. The nitro group at position 4 is particularly reactive and can undergo reduction to form an amino group, which is a valuable transformation in organic synthesis. Similarly, the chlorine atom at position 2 can act as an electrophilic site for nucleophilic substitutions or serve as a leaving group in elimination reactions. The methyl group at position 3 provides steric hindrance, which can influence the regioselectivity of reactions involving this compound.

Recent studies have highlighted the potential of Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide as a precursor for the synthesis of bioactive molecules. For example, researchers have successfully utilized this compound to prepare novel anti-inflammatory agents by incorporating it into heterocyclic frameworks. The ability to modify the substituents on the pyridine ring allows for fine-tuning of pharmacokinetic properties such as solubility and bioavailability.

In addition to its role in drug discovery, this compound has also found applications in agrochemicals. Its derivatives have been shown to exhibit potent insecticidal activity against various pests, making them promising candidates for sustainable pest management solutions. The development of these compounds aligns with current trends toward environmentally friendly agricultural practices.

The oxide functional group present in this compound plays a crucial role in its redox properties. Recent investigations into its electrochemical behavior have revealed its potential as an intermediate in the synthesis of advanced materials such as conductive polymers and metal-organic frameworks (MOFs). These materials hold great promise for applications in energy storage and catalysis.

From a safety standpoint, it is important to note that while Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide is not classified as a hazardous material under standard conditions, proper handling procedures should be followed to ensure workplace safety and environmental protection.

In conclusion, Pyridine, 2-chloro-3-methyl-4-nitro-, 1-oxide (CAS No: 60323-95-7) is a versatile compound with significant potential across multiple disciplines. Its unique structure and reactivity make it an invaluable tool for researchers seeking innovative solutions in pharmaceuticals, agrochemicals, and materials science.

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