Cas no 1805401-44-8 (2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine)

2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine is a fluorinated pyridine derivative with a unique structural configuration, combining chloro, cyano, and difluoromethyl substituents on a methylated pyridine core. This compound is of interest in agrochemical and pharmaceutical research due to its potential as a versatile intermediate for synthesizing biologically active molecules. The presence of the difluoromethyl group enhances metabolic stability and lipophilicity, while the chloro and cyano substituents offer reactive sites for further functionalization. Its well-defined structure and high purity make it suitable for precision applications in heterocyclic chemistry, particularly in the development of novel pesticides or medicinal agents.
2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine structure
1805401-44-8 structure
Product Name:2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine
CAS No:1805401-44-8
MF:C8H5ClF2N2
MW:202.588507413864
CID:4865016
Update Time:2025-11-02

2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine
    • Inchi: 1S/C8H5ClF2N2/c1-4-5(2-12)6(8(10)11)3-13-7(4)9/h3,8H,1H3
    • InChI Key: BNHVENJTNZKJMO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C)C(C#N)=C(C=N1)C(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 225
  • XLogP3: 2.5
  • Topological Polar Surface Area: 36.7

2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029055457-1g
2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine
1805401-44-8 97%
1g
$1,475.10 2022-04-01

Additional information on 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine

2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine (CAS 1805401-44-8): A Versatile Pyridine Derivative with Emerging Applications

2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine (CAS 1805401-44-8) represents an important class of pyridine derivatives that has gained significant attention in modern chemical research and industrial applications. This heterocyclic compound features a unique combination of functional groups - chloro, cyano, difluoromethyl, and methyl substituents - which contribute to its distinctive chemical properties and reactivity patterns.

The molecular structure of 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine makes it particularly valuable as a building block in pharmaceutical synthesis and agrochemical development. Recent studies highlight its potential as a key intermediate in the production of novel crop protection agents, aligning with current industry demands for more sustainable agricultural solutions. The presence of both electron-withdrawing (cyano, chloro) and electron-donating (methyl) groups creates interesting electronic effects that researchers are exploring for various applications.

From a synthetic chemistry perspective, CAS 1805401-44-8 offers multiple reactive sites for further functionalization. The chlorine atom at position 2 readily participates in nucleophilic aromatic substitution reactions, while the cyano group at position 4 can be transformed into various other functional groups through reduction or hydrolysis. These characteristics make it a versatile intermediate for constructing more complex molecular architectures.

In the pharmaceutical sector, compounds containing the pyridine core like 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine are increasingly important due to their biological activity and metabolic stability. The difluoromethyl group, in particular, has become a valuable moiety in drug design as it can serve as a bioisostere for various functional groups while potentially improving pharmacokinetic properties.

The physical properties of 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine include moderate solubility in common organic solvents, which facilitates its handling in laboratory and industrial settings. Its stability under normal conditions makes it suitable for various synthetic transformations without requiring special handling procedures.

Recent patent literature reveals growing interest in CAS 1805401-44-8 as an intermediate for developing new classes of heterocyclic compounds with potential applications in material science. The combination of fluorine and nitrogen atoms in its structure may contribute to interesting electronic properties that could be valuable in organic electronic materials.

Quality control of 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine typically involves analytical techniques such as HPLC, GC-MS, and NMR spectroscopy. These methods ensure the compound meets the purity standards required for research and industrial applications, particularly when used as a pharmaceutical intermediate.

Environmental considerations for pyridine derivatives like CAS 1805401-44-8 are increasingly important in chemical development. Researchers are investigating the biodegradation pathways and environmental fate of such compounds to ensure sustainable use in various applications.

The market for specialized pyridine derivatives continues to expand, with 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine representing one of the promising compounds in this category. Its unique substitution pattern offers distinct advantages over simpler pyridine derivatives, making it valuable for researchers developing new materials and bioactive compounds.

Safety data for CAS 1805401-44-8 indicates that standard laboratory precautions are sufficient for handling this material. As with many heterocyclic compounds, proper ventilation and personal protective equipment are recommended when working with this chemical in powder or solution form.

Future research directions for 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine may explore its potential in catalysis, as a ligand in transition metal complexes, or as a precursor for more complex nitrogen-containing heterocycles. The compound's versatility ensures it will remain relevant in chemical research and development.

For researchers and manufacturers seeking high-quality pyridine derivatives, 2-Chloro-4-cyano-5-(difluoromethyl)-3-methylpyridine represents an important addition to the toolkit of synthetic intermediates. Its combination of reactive functional groups and stability makes it particularly valuable for constructing complex molecular architectures in pharmaceutical and materials chemistry.

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