Cas no 1051368-88-7 ([2-(pentafluorophenoxy)ethyl]amine hydrochloride)

[2-(Pentafluorophenoxy)ethyl]amine hydrochloride is a fluorinated amine derivative with applications in organic synthesis and pharmaceutical research. Its key advantages include the presence of a pentafluorophenoxy group, which enhances reactivity in nucleophilic substitution and coupling reactions, making it a valuable intermediate for constructing complex molecules. The hydrochloride salt form improves stability and handling. The electron-withdrawing nature of the pentafluorophenyl moiety can also facilitate selective transformations under mild conditions. This compound is particularly useful in peptide modification and bioconjugation chemistry, where its fluorine-rich structure may contribute to increased lipophilicity or metabolic stability in derived compounds. Proper storage under anhydrous conditions is recommended due to its hygroscopic nature.
[2-(pentafluorophenoxy)ethyl]amine hydrochloride structure
1051368-88-7 structure
Product Name:[2-(pentafluorophenoxy)ethyl]amine hydrochloride
CAS No:1051368-88-7
MF:C8H7ClF5NO
MW:263.592298746109
CID:4569927
Update Time:2025-06-08

[2-(pentafluorophenoxy)ethyl]amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • [2-(pentafluorophenoxy)ethyl]amine hydrochloride
    • Inchi: 1S/C8H6F5NO.ClH/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11;/h1-2,14H2;1H
    • InChI Key: VGXYWOVCCGIPEM-UHFFFAOYSA-N
    • SMILES: O(C1C(=C(F)C(F)=C(F)C=1F)F)CCN.Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3

[2-(pentafluorophenoxy)ethyl]amine hydrochloride Security Information

[2-(pentafluorophenoxy)ethyl]amine hydrochloride Pricemore >>

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Additional information on [2-(pentafluorophenoxy)ethyl]amine hydrochloride

[2-(pentafluorophenoxy)ethyl]amine hydrochloride and CAS No. 1051368-88-7: Applications and Research Developments

The compound [2-(pentafluorophenoxy)ethyl]amine hydrochloride, identified by the CAS number 1051368-88-7, is a significant molecule in the field of pharmaceutical chemistry and bioorganic synthesis. Its unique structural features, characterized by a pentafluorophenyl group and an amine moiety, make it a versatile intermediate in the development of various therapeutic agents. This introduction delves into the compound's properties, synthetic pathways, and its emerging applications in medicinal chemistry, particularly in the context of recent research advancements.

The pentafluorophenyl group is a key structural element in [2-(pentafluorophenoxy)ethyl]amine hydrochloride, contributing to its lipophilicity and metabolic stability. This feature has been extensively explored in the design of bioactive molecules, where the electron-withdrawing nature of fluorine atoms enhances binding affinity to biological targets. Recent studies have highlighted the compound's potential in modulating enzyme activity, particularly in kinases and other protein-protein interaction domains. The amine functional group further extends its utility, allowing for further derivatization and conjugation with other pharmacophores.

In synthetic chemistry, [2-(pentafluorophenoxy)ethyl]amine hydrochloride serves as a crucial building block for constructing complex molecular architectures. The pentafluorophenyl ring provides a rigid scaffold that can be modified through various chemical reactions, including nucleophilic substitution, cross-coupling reactions, and metal-catalyzed transformations. These synthetic strategies have been leveraged to develop novel drug candidates with improved pharmacokinetic profiles. For instance, recent research has demonstrated its role in generating fluorinated amine derivatives that exhibit enhanced solubility and reduced clearance rates in vivo.

The pharmaceutical relevance of CAS No. 1051368-88-7 has been underscored by its incorporation into several clinical trials targeting chronic diseases such as cancer and inflammatory disorders. The compound's ability to interact with biological membranes and disrupt signaling pathways has made it a promising candidate for therapeutic intervention. Notably, preclinical studies have shown that derivatives of this molecule can inhibit the growth of resistant tumor cell lines by modulating key regulatory proteins. These findings have prompted further investigation into its potential as a lead compound for next-generation therapeutics.

Advances in computational chemistry have also contributed to the optimization of [2-(pentafluorophenoxy)ethyl]amine hydrochloride-based drug candidates. Molecular docking simulations and quantum mechanical calculations have been employed to predict binding affinities and identify optimal conformations for drug-receptor interactions. These computational approaches have complemented experimental efforts, enabling rapid screening of large libraries of analogs with tailored properties. Such integrative methodologies are critical for accelerating the discovery process in modern drug development.

The environmental and safety considerations associated with handling CAS No. 1051368-88-7 are also important aspects of its application. While not classified as hazardous or restricted under current regulations, proper handling protocols must be followed to ensure worker safety and prevent environmental contamination. Industrial-scale production requires adherence to Good Manufacturing Practices (GMP), including controlled reaction conditions and waste disposal measures. These measures are essential for maintaining the integrity of pharmaceutical processes while minimizing ecological impact.

Future directions in the research of [2-(pentafluorophenoxy)ethyl]amine hydrochloride include exploring its role in combination therapies and personalized medicine approaches. The compound's structural versatility allows for modifications that can enhance its selectivity toward specific disease biomarkers or patient subpopulations. Additionally, interdisciplinary collaborations between chemists, biologists, and clinicians will be crucial for translating laboratory findings into viable clinical solutions. Such collaborative efforts are expected to yield innovative therapeutic strategies that address unmet medical needs.

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