Cas no 1383847-39-9 (2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE)

2-Chloro-4-(prop-1-yn-1-yl)pyridine is a versatile pyridine derivative featuring a chloro substituent at the 2-position and a propynyl group at the 4-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its reactive alkyne moiety enables selective modifications via click chemistry or cross-coupling reactions, while the chloro group offers further functionalization potential. The structural rigidity of the pyridine ring enhances stability, making it suitable for applications requiring precise molecular architecture. Its well-defined reactivity profile and compatibility with diverse synthetic methodologies make it a useful building block for researchers in medicinal and materials chemistry.
2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE structure
1383847-39-9 structure
Product Name:2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE
CAS No:1383847-39-9
MF:C8H6ClN
MW:151.592940807343
CID:2121998
Update Time:2025-08-05

2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-(prop-1-ynyl)pyridine
    • 2-Chloro-4-(prop-1-yn-1-yl)pyridine
    • ZMBORRSVWKMJLA-UHFFFAOYSA-N
    • Pyridine, 2-chloro-4-(1-propyn-1-yl)-
    • CID 86667270
    • 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE
    • Inchi: 1S/C8H6ClN/c1-2-3-7-4-5-10-8(9)6-7/h4-6H,1H3
    • InChI Key: ZMBORRSVWKMJLA-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C#CC)C=CN=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 165
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Density: 1.19±0.1 g/cm3(Predicted)
  • Boiling Point: 255.6±25.0 °C(Predicted)
  • pka: 0.74±0.10(Predicted)

2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029199522-1g
2-Chloro-4-(prop-1-yn-1-yl)pyridine
1383847-39-9 95%
1g
$442.38 2022-04-02

Additional information on 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE

Research Brief on 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE (CAS: 1383847-39-9) in Chemical Biology and Pharmaceutical Applications

2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE (CAS: 1383847-39-9) is a pyridine derivative that has recently gained attention in chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug discovery. This compound features a chloro-substituted pyridine ring coupled with a propynyl group, which makes it a versatile intermediate for further chemical modifications. Recent studies have explored its utility in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and other targeted therapies.

One of the key areas of interest for this compound is its role as a building block in medicinal chemistry. Researchers have utilized 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE in the synthesis of novel heterocyclic compounds with potential anticancer and anti-inflammatory properties. The propynyl group, in particular, allows for efficient click chemistry reactions, enabling the rapid assembly of complex molecular architectures. This has been demonstrated in several recent publications where the compound was used to generate libraries of small molecules for high-throughput screening.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the use of 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE as a precursor for the development of selective kinase inhibitors. The study highlighted the compound's ability to serve as a scaffold for introducing pharmacophoric groups that enhance binding affinity and selectivity. The resulting inhibitors showed promising activity against specific cancer cell lines, with minimal off-target effects. This underscores the compound's potential in targeted therapy development.

Another significant application of 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE is in the field of chemical biology, where it has been employed as a probe to study protein-ligand interactions. Its modular structure allows for easy conjugation with fluorescent tags or biotin, facilitating the visualization and isolation of target proteins. Recent work in ACS Chemical Biology demonstrated its utility in identifying novel binding partners for a poorly characterized kinase, shedding light on its biological function and potential therapeutic relevance.

Despite its promising applications, challenges remain in the large-scale synthesis and optimization of 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE derivatives. Current research efforts are focused on improving yield and purity while exploring greener synthetic routes. Additionally, more in vivo studies are needed to fully assess the pharmacokinetic and safety profiles of compounds derived from this intermediate. Nevertheless, the growing body of literature supports its continued investigation as a valuable tool in drug discovery and chemical biology.

In conclusion, 2-CHLORO-4-(PROP-1-YN-1-YL)PYRIDINE (CAS: 1383847-39-9) represents a versatile and promising compound in the realm of chemical biology and pharmaceutical research. Its unique structural features enable diverse applications, from drug development to biological probe design. As research progresses, this compound is likely to play an increasingly important role in the discovery of new therapeutic agents and the elucidation of biological mechanisms.

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