Cas no 871126-09-9 (2-Fluoro-3-propoxyphenylboronic acid)

2-Fluoro-3-propoxyphenylboronic acid is a boronic acid derivative commonly employed as a versatile intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its fluorinated and propoxy-substituted aromatic ring enhances its reactivity and selectivity in forming carbon-carbon bonds, making it valuable for constructing complex molecular architectures. The compound's stability under typical reaction conditions and compatibility with various functional groups contribute to its utility in pharmaceutical and materials science research. Its well-defined structure ensures consistent performance in palladium-catalyzed transformations, while the electron-withdrawing fluorine and electron-donating propoxy groups offer tunable electronic properties for tailored applications. Proper handling under inert conditions is recommended to preserve its reactivity.
2-Fluoro-3-propoxyphenylboronic acid structure
871126-09-9 structure
Product Name:2-Fluoro-3-propoxyphenylboronic acid
CAS No:871126-09-9
MF:C9H12BFO3
MW:197.999186515808
MDL:MFCD19237181
CID:1024452
Update Time:2025-11-02

2-Fluoro-3-propoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Fluoro-3-propoxyphenyl)boronic acid
    • 2-Fluoro-3-propoxyphenylboronic acid
    • MDL: MFCD19237181
    • Inchi: 1S/C9H12BFO3/c1-2-6-14-8-5-3-4-7(9(8)11)10(12)13/h3-5,12-13H,2,6H2,1H3
    • InChI Key: DZDCTNMDWXZTDO-UHFFFAOYSA-N
    • SMILES: FC1C(B(O)O)=CC=CC=1OCCC

Computed Properties

  • Exact Mass: 198.08600
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 49.69000
  • LogP: 0.29430

2-Fluoro-3-propoxyphenylboronic acid Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi

2-Fluoro-3-propoxyphenylboronic 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 2-Fluoro-3-propoxyphenylboronic acid

Exploring the Versatility of 2-Fluoro-3-propoxyphenylboronic acid (CAS No. 871126-09-9): Properties, Applications, and Market Insights

2-Fluoro-3-propoxyphenylboronic acid (CAS No. 871126-09-9) is a specialized boronic acid derivative that has gained significant attention in the fields of organic synthesis, pharmaceuticals, and material science. This compound, characterized by its unique fluoro and propoxy substituents, serves as a valuable building block in Suzuki-Miyaura cross-coupling reactions, a widely used method for forming carbon-carbon bonds. Its molecular structure, which includes a boronic acid functional group, makes it highly reactive and versatile for various chemical transformations.

The growing interest in 2-Fluoro-3-propoxyphenylboronic acid is driven by its applications in the development of pharmaceutical intermediates and biologically active compounds. Researchers are particularly intrigued by its potential role in designing targeted therapies and small molecule inhibitors, which are hot topics in drug discovery. The fluoro substituent enhances the compound's metabolic stability, while the propoxy group can influence its solubility and binding affinity, making it a promising candidate for medicinal chemistry projects.

In addition to its pharmaceutical applications, 2-Fluoro-3-propoxyphenylboronic acid is also explored in material science for the synthesis of advanced polymers and organic electronic materials. Its ability to participate in palladium-catalyzed reactions allows for the creation of complex molecular architectures, which are essential for developing high-performance materials. This aligns with the current trend of sustainable chemistry and the search for eco-friendly synthesis methods, which are highly searched topics in the scientific community.

The market for boronic acid derivatives like 2-Fluoro-3-propoxyphenylboronic acid is expanding, fueled by the increasing demand for precision medicine and customized chemical solutions. Companies specializing in fine chemicals and research reagents are actively stocking this compound to meet the needs of academic and industrial researchers. Its CAS number 871126-09-9 is frequently searched in databases, reflecting its relevance in contemporary chemical research.

From a synthetic perspective, 2-Fluoro-3-propoxyphenylboronic acid offers several advantages. Its boronic acid group facilitates mild reaction conditions, reducing the need for harsh reagents and minimizing environmental impact. This resonates with the global push toward green chemistry, a topic that dominates discussions in both academic and industrial settings. Moreover, the compound's stability under various conditions makes it a reliable choice for multi-step synthesis and high-throughput screening.

As the scientific community continues to explore the potential of 2-Fluoro-3-propoxyphenylboronic acid, its role in drug development and material innovation is expected to grow. Researchers are particularly interested in its structure-activity relationships (SAR), which can provide insights into designing more effective therapeutic agents. The compound's unique substituents also open doors to novel applications in catalysis and sensor technology, areas that are gaining traction in modern chemistry.

In conclusion, 2-Fluoro-3-propoxyphenylboronic acid (CAS No. 871126-09-9) stands out as a multifaceted compound with broad applications in pharmaceuticals, materials science, and organic synthesis. Its relevance to current research trends, such as targeted drug delivery and sustainable materials, ensures its continued prominence in scientific literature and commercial markets. For researchers and industry professionals, this compound represents a valuable tool for advancing innovation in chemistry and beyond.

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