Cas no 120739-87-9 (4-(Chloromethyl)-2,6-dimethylpyridine)

4-(Chloromethyl)-2,6-dimethylpyridine is a versatile pyridine derivative characterized by its reactive chloromethyl group and sterically hindered dimethyl substitution at the 2- and 6-positions. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functionalized pyridine derivatives. The chloromethyl group enables facile nucleophilic substitution reactions, while the adjacent methyl groups enhance stability and influence regioselectivity in further transformations. Its well-defined structure and reactivity make it suitable for applications in cross-coupling reactions, ligand synthesis, and the construction of complex heterocyclic frameworks. The compound is typically handled under inert conditions due to the sensitivity of the chloromethyl moiety.
4-(Chloromethyl)-2,6-dimethylpyridine structure
120739-87-9 structure
Product Name:4-(Chloromethyl)-2,6-dimethylpyridine
CAS No:120739-87-9
MF:C8H10ClN
MW:155.624701023102
MDL:MFCD13189560
CID:105151
PubChem ID:13582814
Update Time:2025-10-12

4-(Chloromethyl)-2,6-dimethylpyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloromethyl-2,6-dimethylpyridine
    • Pyridine,4-(chloromethyl)-2,6-dimethyl-
    • 2,6-dimethyl-4-picolyl chloride
    • 2,6-dimethyl-pyridin-4-ylmethyl chloride
    • 4-(chloromethyl)-2,5-diphenyl-oxazole
    • 4-(Chloromethyl)-2,5-diphenyloxazole
    • 4-Chlormethyl-2,5-diphenyl-oxazol
    • 4-chloromethyl-(2,6-dimethyl)p
    • 4-Chloromethyl-2,5-diphenyloxazol
    • 4-Chloromethyl-2,5-diphenyloxazole
    • AK147797
    • CTK0J4017
    • Oxazole, 4-(chloromethyl)-2,5-diphenyl-
    • SureCN9755249
    • 4-(chloromethyl)-2,6-dimethyl- (9CI)
    • 4-(ChloroMethyl)-2,6-diMethylpyridine
    • Pyridine, 4-(chloromethyl)-2,6-dimethyl- (9CI)
    • J-513689
    • HHJGMXMMZDNOOO-UHFFFAOYSA-N
    • SCHEMBL1314802
    • AS-50151
    • 2,6-dimethyl isonicotinyl chloride
    • VEA73987
    • O11086
    • AB68655
    • AKOS006385313
    • 120739-87-9
    • MFCD13189560
    • (2,6-dimethyl-4-pyridyl)methyl chloride
    • DTXSID40544332
    • DB-358263
    • DTXCID80495117
    • 4-(Chloromethyl)-2,6-dimethylpyridine
    • MDL: MFCD13189560
    • Inchi: 1S/C8H10ClN/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,5H2,1-2H3
    • InChI Key: HHJGMXMMZDNOOO-UHFFFAOYSA-N
    • SMILES: ClCC1C=C(C)N=C(C)C=1

Computed Properties

  • Exact Mass: 155.0503
  • Monoisotopic Mass: 155.0501770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 95.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

4-(Chloromethyl)-2,6-dimethylpyridine Pricemore >>

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Additional information on 4-(Chloromethyl)-2,6-dimethylpyridine

Comprehensive Overview of 4-(Chloromethyl)-2,6-dimethylpyridine (CAS No. 120739-87-9): Properties, Applications, and Industry Insights

4-(Chloromethyl)-2,6-dimethylpyridine (CAS No. 120739-87-9) is a specialized organic compound widely recognized for its versatile applications in pharmaceutical synthesis, agrochemical formulations, and material science. With the increasing demand for pyridine derivatives in modern chemistry, this compound has garnered significant attention due to its unique structural features, including a reactive chloromethyl group and sterically hindered dimethylpyridine backbone. Researchers and industry professionals frequently search for terms like "4-(Chloromethyl)-2,6-dimethylpyridine synthesis", "CAS 120739-87-9 applications", and "pyridine-based intermediates", reflecting its growing relevance in R&D.

The compound’s molecular structure (C8H10ClN) enables diverse functionalization, making it a critical intermediate in designing heterocyclic compounds. Recent studies highlight its role in developing bioactive molecules, particularly in catalysis and ligand design. Environmental concerns and the shift toward green chemistry have also spurred interest in optimizing synthetic routes for 4-(Chloromethyl)-2,6-dimethylpyridine, with searches like "sustainable synthesis of chloromethyl pyridines" trending in scientific databases.

In the pharmaceutical sector, CAS 120739-87-9 serves as a precursor for drug candidates targeting neurological and metabolic disorders. Its chloromethyl group facilitates easy conjugation with biomolecules, a feature exploited in prodrug development. Meanwhile, agrochemical applications leverage its stability to create crop protection agents, aligning with the global push for high-efficiency pesticides. Analytical techniques such as HPLC and NMR are commonly employed to validate purity, addressing queries like "analytical methods for 4-(Chloromethyl)-2,6-dimethylpyridine".

From a commercial perspective, suppliers emphasize high-purity grades of 120739-87-9 to meet stringent industry standards. Storage recommendations typically include inert atmospheres and moisture-free conditions, topics often searched alongside "handling pyridine derivatives". Innovations in scalable production and cost-effective purification remain focal points, driven by demand from emerging markets in Asia and North America.

Future prospects for 4-(Chloromethyl)-2,6-dimethylpyridine include potential roles in advanced materials like metal-organic frameworks (MOFs) and conductive polymers. As interdisciplinary research expands, this compound is poised to bridge gaps between synthetic chemistry and cutting-edge technologies, answering search trends such as "pyridine derivatives in nanotechnology". Continuous exploration of its structure-activity relationships will further unlock its industrial potential.

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