Cas no 99717-08-5 (2-fluoro-5-isopropoxyaniline)

2-Fluoro-5-isopropoxyaniline is a versatile aromatic amine compound featuring both fluoro and isopropoxy functional groups on the benzene ring. The presence of the electron-withdrawing fluorine atom at the 2-position and the electron-donating isopropoxy group at the 5-position imparts unique electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its structural characteristics enable selective reactivity in cross-coupling reactions, such as Buchwald-Hartwig amination or Suzuki-Miyaura coupling, facilitating the construction of complex molecules. The compound exhibits good stability under standard conditions and demonstrates moderate solubility in common organic solvents, enhancing its utility in synthetic applications. Its well-defined reactivity profile allows for precise functionalization, contributing to its importance in the development of bioactive compounds and advanced materials.
2-fluoro-5-isopropoxyaniline structure
2-fluoro-5-isopropoxyaniline structure
Product Name:2-fluoro-5-isopropoxyaniline
CAS No:99717-08-5
MF:C9H12FNO
MW:169.196085929871
MDL:MFCD28048532
CID:1992825
PubChem ID:13559074
Update Time:2025-07-02

2-fluoro-5-isopropoxyaniline Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-5-isopropoxyaniline
    • CS-0380711
    • SCHEMBL12944857
    • 99717-08-5
    • 2-fluoro-5-(propan-2-yloxy)aniline
    • EN300-6499137
    • MDL: MFCD28048532
    • Inchi: 1S/C9H12FNO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,11H2,1-2H3
    • InChI Key: CXEPWOIYYRDYGQ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1N)OC(C)C

Computed Properties

  • Exact Mass: 169.090292168Da
  • Monoisotopic Mass: 169.090292168Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 140
  • 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: 2.2
  • Topological Polar Surface Area: 35.3?2

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Additional information on 2-fluoro-5-isopropoxyaniline

Comprehensive Overview of 2-Fluoro-5-isopropoxyaniline (CAS No. 99717-08-5): Properties, Applications, and Industry Insights

2-Fluoro-5-isopropoxyaniline (CAS No. 99717-08-5) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in pharmaceutical and agrochemical research. This aromatic amine, featuring a fluoro substituent and an isopropoxy group, has garnered significant attention due to its role as a key intermediate in synthesizing bioactive molecules. With the growing demand for fluorinated compounds in drug discovery, this chemical has become a focal point for researchers exploring structure-activity relationships (SAR) and molecular optimization.

The compound’s CAS number 99717-08-5 serves as a critical identifier in regulatory and commercial databases, ensuring precise tracking in supply chains. Its systematic name, 2-fluoro-5-isopropoxyaniline, reflects the IUPAC nomenclature standards, while alternative names like 5-isopropoxy-2-fluoroaniline may appear in literature. The inclusion of fluorine enhances metabolic stability and bioavailability, making it a valuable building block for pharmaceutical intermediates. Recent trends highlight its utility in crop protection chemicals, aligning with the global push for sustainable agriculture.

From a synthetic chemistry perspective, 99717-08-5 is often employed in palladium-catalyzed cross-coupling reactions, such as Buchwald-Hartwig aminations, to construct complex heterocycles. Its electron-rich aniline core facilitates functionalization, enabling the development of targeted therapies for oncology and CNS disorders. Industry reports indicate rising searches for "fluoroaniline derivatives" and "high-purity aromatic amines," underscoring its relevance in preclinical research.

Environmental and safety profiles of 2-fluoro-5-isopropoxyaniline adhere to standard handling protocols for aromatic amines. While not classified as hazardous under major regulatory frameworks, proper storage under inert conditions is recommended to prevent degradation. Analytical methods like HPLC and GC-MS are routinely used to verify purity, with >98% being the typical commercial grade. Suppliers often provide custom synthesis services to meet diverse R&D needs, catering to the demand for tailor-made fluorinated intermediates.

Emerging applications include its use in material science, particularly in designing organic semiconductors and liquid crystal displays (LCDs). The compound’s ability to modulate electronic properties via its substituent effects has sparked interest in optoelectronic research. Furthermore, patent analyses reveal its incorporation in dye sensitizers for solar cells, addressing the renewable energy sector’s innovation demands.

Market dynamics for CAS 99717-08-5 reflect broader trends in fine chemicals globalization, with Asia-Pacific emerging as a production hub. Quality benchmarks like ISO certification and GMP compliance are pivotal for suppliers aiming to serve regulated markets. FAQs from researchers often center on scalable synthesis routes and cost-effective purification techniques, highlighting the need for technical documentation.

In conclusion, 2-fluoro-5-isopropoxyaniline exemplifies the intersection of medicinal chemistry and industrial innovation. Its dual utility in life sciences and advanced materials ensures sustained interest, while advancements in green chemistry promise more sustainable production methods. As the scientific community prioritizes fluorine-containing motifs, this compound will remain a cornerstone in cutting-edge research.

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