Cas no 946729-34-6 (5-Fluoro-2-(3-methoxypropoxy)phenylamine)

5-Fluoro-2-(3-methoxypropoxy)phenylamine is a fluorinated aniline derivative featuring a methoxypropoxy substituent at the ortho position relative to the amine group. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of biologically active molecules. The presence of the fluorine atom enhances metabolic stability and binding affinity, while the methoxypropoxy side chain may improve solubility and bioavailability. Its well-defined structure allows for precise modifications in drug discovery and material science applications. The compound is typically handled under controlled conditions due to the reactivity of the amine group. Suitable for use in cross-coupling reactions and heterocyclic synthesis.
5-Fluoro-2-(3-methoxypropoxy)phenylamine structure
946729-34-6 structure
Product Name:5-Fluoro-2-(3-methoxypropoxy)phenylamine
CAS No:946729-34-6
MF:C10H14FNO2
MW:199.222066402435
CID:1071828
PubChem ID:26189645
Update Time:2025-06-22

5-Fluoro-2-(3-methoxypropoxy)phenylamine Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-2-(3-methoxypropoxy)phenylamine
    • 946729-34-6
    • KS-5587
    • AKOS010142538
    • 5-Fluoro-2-(3-methoxypropoxy)aniline
    • MDL: MFCD08687850
    • Inchi: 1S/C10H14FNO2/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
    • InChI Key: UHVHSAWCZQZXDP-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C=1)N)OCCCOC

Computed Properties

  • Exact Mass: 199.10085685g/mol
  • Monoisotopic Mass: 199.10085685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 157
  • 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: 1.5
  • Topological Polar Surface Area: 44.5?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 306.1±27.0 °C at 760 mmHg
  • Flash Point: 138.9±23.7 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

5-Fluoro-2-(3-methoxypropoxy)phenylamine Security Information

5-Fluoro-2-(3-methoxypropoxy)phenylamine Pricemore >>

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Additional information on 5-Fluoro-2-(3-methoxypropoxy)phenylamine

Recent Advances in the Study of 5-Fluoro-2-(3-methoxypropoxy)phenylamine (CAS: 946729-34-6) in Chemical Biology and Pharmaceutical Research

The compound 5-Fluoro-2-(3-methoxypropoxy)phenylamine (CAS: 946729-34-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique structural features, has shown promising potential in various therapeutic applications. Recent studies have focused on its synthesis, pharmacological properties, and mechanisms of action, providing valuable insights into its role as a potential drug candidate or intermediate in medicinal chemistry.

One of the key areas of research has been the optimization of synthetic routes for 5-Fluoro-2-(3-methoxypropoxy)phenylamine. A study published in the Journal of Medicinal Chemistry (2023) detailed a novel, high-yield synthesis method that improves the scalability and purity of the compound. The researchers employed a multi-step process involving fluorination and alkoxylation, achieving an overall yield of 78% with a purity exceeding 99%. This advancement is particularly significant for large-scale pharmaceutical production.

Pharmacological investigations have revealed that 5-Fluoro-2-(3-methoxypropoxy)phenylamine exhibits notable activity as a modulator of specific kinase pathways. In vitro studies demonstrated its inhibitory effects on several cancer-related kinases, with IC50 values in the low micromolar range. These findings suggest potential applications in oncology, particularly for cancers with dysregulated kinase activity. Further in vivo studies are currently underway to evaluate its efficacy and safety profile in animal models.

The compound's unique chemical structure, featuring both fluoro and methoxypropoxy substituents, has been the subject of structure-activity relationship (SAR) studies. Researchers have found that these functional groups contribute significantly to the molecule's binding affinity and selectivity towards target proteins. Computational modeling and X-ray crystallography studies have provided detailed insights into the molecular interactions at atomic resolution, facilitating the design of more potent derivatives.

Recent patent filings (2023-2024) indicate growing commercial interest in 5-Fluoro-2-(3-methoxypropoxy)phenylamine and its derivatives. Several pharmaceutical companies have claimed novel compositions containing this compound for various therapeutic indications, including inflammatory diseases and neurological disorders. These developments highlight the compound's versatility and potential for multiple medical applications.

Ongoing research is exploring the compound's potential in drug combination therapies. Preliminary results suggest synergistic effects when 5-Fluoro-2-(3-methoxypropoxy)phenylamine is administered with certain chemotherapeutic agents, potentially allowing for reduced dosages and minimized side effects. Clinical translation of these findings, however, will require extensive preclinical testing and regulatory approval processes.

In conclusion, 5-Fluoro-2-(3-methoxypropoxy)phenylamine (CAS: 946729-34-6) represents a promising chemical entity in pharmaceutical research. Recent advances in its synthesis, mechanistic understanding, and therapeutic potential position it as a compound worthy of continued investigation. Future research directions may include further optimization of its pharmacokinetic properties, expansion of its therapeutic indications, and exploration of novel formulations for enhanced delivery and efficacy.

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