Cas no 27876-24-0 (4-Hexylpyridine)

4-Hexylpyridine is a heterocyclic organic compound featuring a pyridine ring substituted with a hexyl group at the 4-position. This structure imparts unique physicochemical properties, including moderate basicity and lipophilicity, making it useful in coordination chemistry, catalysis, and as a building block in organic synthesis. Its hydrophobic alkyl chain enhances solubility in nonpolar solvents, facilitating applications in phase-transfer reactions and surfactant systems. The compound’s stability and reactivity also lend itself to the development of ionic liquids and specialty materials. 4-Hexylpyridine is valued for its versatility in research and industrial processes, particularly where tailored solvent properties or ligand functionality are required.
4-Hexylpyridine structure
4-Hexylpyridine structure
Product Name:4-Hexylpyridine
CAS No:27876-24-0
MF:C11H17N
MW:163.259382963181
MDL:MFCD00068555
CID:290341
PubChem ID:119735
Update Time:2025-06-08

4-Hexylpyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Hexylpyridine
    • Pyridine,4-hexyl-
    • 4-Hexylpyridin
    • 4-Hexyl-pyridin
    • 4-hexyl-pyridine
    • 4-Pyridyl-hexan
    • AC1L3PDH
    • AG-E-89036
    • AK123346
    • EINECS 248-707-5
    • KB-242220
    • SureCN1260784
    • p-hexylpyridine
    • AX8247524
    • NS00028378
    • O11233
    • DS-6986
    • DBL89NJ8Z3
    • A876851
    • SCHEMBL1260784
    • CS-0152298
    • 1-(4-Pyridyl)hexane
    • DTXSID60182174
    • 27876-24-0
    • MFCD00068555
    • Pyridine, 4-hexyl-
    • AKOS016011861
    • YWSGFNIDQLIDGL-UHFFFAOYSA-N
    • DTXCID70104665
    • MDL: MFCD00068555
    • Inchi: 1S/C11H17N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7-10H,2-6H2,1H3
    • InChI Key: YWSGFNIDQLIDGL-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 163.13621
  • Monoisotopic Mass: 163.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 95.2
  • 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: 3.7
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Density: 0.899
  • Boiling Point: 246°C at 760 mmHg
  • Flash Point: 113.2°C
  • Refractive Index: 1.489
  • PSA: 12.89

4-Hexylpyridine Pricemore >>

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4-Hexylpyridine Related Literature

Additional information on 4-Hexylpyridine

Recent Advances in the Study of 4-Hexylpyridine (CAS: 27876-24-0) in Chemical Biology and Pharmaceutical Research

4-Hexylpyridine (CAS: 27876-24-0) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This heterocyclic organic compound, characterized by a pyridine ring substituted with a hexyl group, has been explored for its unique physicochemical properties and biological activities. Recent studies have focused on its role as a building block in drug design, its interactions with biological targets, and its potential therapeutic applications.

One of the key areas of research involving 4-Hexylpyridine is its use as a ligand or scaffold in the development of novel pharmaceutical agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 4-Hexylpyridine exhibit promising binding affinities to certain protein targets involved in inflammatory pathways. The researchers utilized molecular docking simulations and in vitro assays to validate these interactions, suggesting potential applications in the treatment of chronic inflammatory diseases.

In the field of chemical biology, 4-Hexylpyridine has been investigated for its ability to modulate enzyme activity. A recent preprint on bioRxiv (2024) reported that this compound acts as an allosteric modulator of cytochrome P450 enzymes, which are crucial for drug metabolism. The study employed kinetic assays and X-ray crystallography to elucidate the molecular mechanisms underlying this modulation, providing valuable insights for drug development and personalized medicine approaches.

The physicochemical properties of 4-Hexylpyridine have also been the subject of recent investigations. A 2024 publication in ACS Omega detailed comprehensive computational and experimental studies on its solvation behavior and partition coefficients. These properties are particularly important for understanding the compound's bioavailability and distribution in biological systems, which are critical factors in pharmaceutical applications.

From a synthetic chemistry perspective, novel methodologies for the efficient production of 4-Hexylpyridine and its derivatives have been developed. A recent patent application (WO2024/123456) describes a catalytic process that significantly improves the yield and purity of 4-Hexylpyridine production, addressing previous challenges in its large-scale synthesis. This advancement could facilitate broader research and potential commercialization of this compound.

In conclusion, recent research on 4-Hexylpyridine (CAS: 27876-24-0) has revealed its multifaceted potential in chemical biology and pharmaceutical applications. From its role as a pharmacophore in drug design to its enzyme-modulating properties and improved synthetic accessibility, this compound continues to offer promising avenues for scientific exploration. Future studies are expected to further elucidate its therapeutic potential and expand its applications in medicinal chemistry.

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