Cas no 480438-63-9 (5-Fluoro-2-isopropoxyphenylboronic acid)

5-Fluoro-2-isopropoxyphenylboronic acid is a versatile boronic acid derivative with a fluorinated aromatic ring and an isopropoxy substituent. It offers high purity and excellent solubility in organic solvents, making it ideal for various synthetic applications. The fluorine atom enhances its reactivity, while the isopropoxy group provides steric hindrance, making it a valuable building block in the synthesis of complex organic molecules.
5-Fluoro-2-isopropoxyphenylboronic acid structure
480438-63-9 structure
Product Name:5-Fluoro-2-isopropoxyphenylboronic acid
CAS No:480438-63-9
MF:C9H12BFO3
MW:197.999186515808
MDL:MFCD06200684
CID:828898
PubChem ID:24880189
Update Time:2025-07-19

5-Fluoro-2-isopropoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (5-Fluoro-2-isopropoxyphenyl)boronic acid
    • (5-fluoro-2-propan-2-yloxyphenyl)boronic acid
    • 5-FLUORO-2-ISOPROPOXYPHENYLBORONIC ACID
    • E89826
    • BS-22559
    • AB23030
    • CS-0174939
    • MFCD06200684
    • AKOS009319643
    • 5-Fluoro-2-isopropoxyphenylboronic acid(contains varying amounts of Anhydride)
    • 480438-63-9
    • SCHEMBL264985
    • DTXSID10584285
    • {5-Fluoro-2-[(propan-2-yl)oxy]phenyl}boronic acid
    • (5-Fluoro-2-isopropoxyphenyl)boronicacid
    • 5-Fluoro-2-isopropoxyphenylboronic acid
    • MDL: MFCD06200684
    • Inchi: 1S/C9H12BFO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3
    • InChI Key: HURKIYCPAQBJFZ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(B(O)O)C=1)OC(C)C

Computed Properties

  • Exact Mass: 198.08600
  • Monoisotopic Mass: 198.0863526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • Density: 1.17
  • Melting Point: 79-83?°C (lit.)
  • Boiling Point: 347°C at 760 mmHg
  • Flash Point: 163.7°C
  • Refractive Index: 1.495
  • PSA: 49.69000
  • LogP: 0.29270

5-Fluoro-2-isopropoxyphenylboronic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

5-Fluoro-2-isopropoxyphenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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Additional information on 5-Fluoro-2-isopropoxyphenylboronic acid

Introduction to 5-Fluoro-2-isopropoxyphenylboronic Acid (CAS No. 480438-63-9)

5-Fluoro-2-isopropoxyphenylboronic acid is a specialized organoboron compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science due to its unique structural and functional properties. This compound, identified by its Chemical Abstracts Service (CAS) number 480438-63-9, features a boronic acid functional group attached to a phenyl ring substituted with both a fluoro and an isopropoxy moiety. These structural features make it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as the Suzuki-Miyaura coupling, which is widely employed in the construction of complex molecular architectures.

The significance of 5-Fluoro-2-isopropoxyphenylboronic acid lies in its ability to serve as a building block for the synthesis of various biologically active molecules. The presence of the fluoro group introduces electronic and steric effects that can influence the reactivity and selectivity of the boronic acid moiety, making it an attractive candidate for medicinal chemists seeking to optimize drug-like properties. Additionally, the isopropoxy group contributes to the steric bulk of the molecule, which can be strategically employed to modulate binding interactions with biological targets.

In recent years, there has been a surge in research focused on the development of novel boronic acid derivatives for therapeutic applications. The 5-Fluoro-2-isopropoxyphenylboronic acid has been explored in several cutting-edge studies aimed at creating innovative pharmaceuticals. For instance, its incorporation into small-molecule inhibitors has shown promise in preclinical models for treating diseases such as cancer and inflammatory disorders. The fluorine atom, in particular, has been recognized for its ability to enhance metabolic stability and binding affinity, which are critical factors in drug design.

One of the most compelling aspects of 5-Fluoro-2-isopropoxyphenylboronic acid is its role in the development of next-generation materials. Researchers have leveraged its reactivity to synthesize advanced polymers and coatings with tailored properties. These materials exhibit enhanced durability, chemical resistance, and biocompatibility, making them suitable for applications in electronics, aerospace, and biomedical engineering. The boronic acid functionality also allows for reversible bonding interactions, which opens up possibilities for smart materials that can adapt to changing environmental conditions.

The synthesis of 5-Fluoro-2-isopropoxyphenylboronic acid typically involves multi-step organic transformations that require precise control over reaction conditions. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and fluorination techniques, are often employed to achieve high yields and purity. The growing demand for this compound has spurred innovations in synthetic protocols, enabling more efficient and sustainable production processes.

From a regulatory perspective, 5-Fluoro-2-isopropoxyphenylboronic acid (CAS No. 480438-63-9) is subject to standard chemical safety guidelines to ensure safe handling and disposal. While it is not classified as a hazardous material under current regulations, proper precautions must be taken to prevent exposure during synthesis and application. Industrial-scale production facilities must adhere to stringent quality control measures to maintain consistency and reliability for downstream applications.

The future prospects for 5-Fluoro-2-isopropoxyphenylboronic acid are promising, with ongoing research uncovering new applications across multiple disciplines. As computational chemistry and machine learning continue to advance, the design and optimization of boronic acid derivatives like this one will become increasingly efficient. Collaborative efforts between academia and industry are essential to translate these findings into tangible benefits for society.

In conclusion,5-Fluoro-2-isopropoxyphenylboronic acid represents a cornerstone compound in modern chemical research. Its unique structural features and versatile reactivity make it indispensable in pharmaceutical development, materials science, and beyond. As our understanding of its properties continues to grow,5-Fluoro-2-isopropoxyphenylboronic acid will undoubtedly play a pivotal role in shaping the future of innovation across multiple scientific domains.

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