Cas no 874289-22-2 (4-Borono-3-fluorobenzamide)

4-Borono-3-fluorobenzamide is a boronic acid derivative featuring both a fluorine substituent and an amide functional group. This compound is particularly valuable in synthetic organic chemistry and medicinal research, where it serves as a versatile intermediate in Suzuki-Miyaura cross-coupling reactions. The presence of the boronic acid moiety enables efficient palladium-catalyzed aryl-aryl bond formation, while the fluorine atom enhances reactivity and stability in certain applications. The amide group further expands its utility in peptide and drug design. Its well-defined structure and compatibility with diverse reaction conditions make it a reliable choice for constructing complex molecular frameworks in pharmaceutical and materials science research.
4-Borono-3-fluorobenzamide structure
4-Borono-3-fluorobenzamide structure
Product Name:4-Borono-3-fluorobenzamide
CAS No:874289-22-2
MF:C7H7BFNO3
MW:182.944785356522
MDL:MFCD09800867
CID:709666
PubChem ID:44717720
Update Time:2025-10-24

4-Borono-3-fluorobenzamide Chemical and Physical Properties

Names and Identifiers

    • (4-Carbamoyl-2-fluorophenyl)boronic acid
    • 4-Borono-3-fluorobenzamide
    • 4-Carbamoyl-2-fluorophenylboronic acid
    • Boronic acid,B-[4-(aminocarbonyl)-2-fluorophenyl]-
    • 4-Carbamoyl-2-fluorobenzeneboronic acid
    • PS-9639
    • SCHEMBL10195681
    • AM87338
    • (4-aminocarbonyl-2-fluoranyl-phenyl)boronic acid
    • MFCD09800867
    • CS-0174708
    • EN300-7363870
    • (4-Carbamoyl-2-fluoro-phenyl)boronic acid
    • AKOS006222054
    • 874289-22-2
    • I12430
    • A842189
    • 4-CarBamoyl-2-fluoroBenzeneBoronicacid
    • (4-Carbamoyl-2-fluorophenyl)boronicacid
    • DTXSID80660308
    • MDL: MFCD09800867
    • Inchi: 1S/C7H7BFNO3/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
    • InChI Key: AHUCXBQJEJTERU-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(N)=O)C=CC=1B(O)O

Computed Properties

  • Exact Mass: 183.05000
  • Monoisotopic Mass: 183.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 202
  • 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
  • Topological Polar Surface Area: 83.6A^2

Experimental Properties

  • Density: 1.41
  • Boiling Point: 359.8°C at 760 mmHg
  • Flash Point: 171.4°C
  • Refractive Index: 1.56
  • PSA: 83.55000
  • LogP: -0.69530

4-Borono-3-fluorobenzamide Security Information

  • Hazardous Material Identification: Xi

4-Borono-3-fluorobenzamide 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%

4-Borono-3-fluorobenzamide Pricemore >>

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Additional information on 4-Borono-3-fluorobenzamide

Comprehensive Overview of 4-Borono-3-fluorobenzamide (CAS No. 874289-22-2): Properties, Applications, and Research Insights

4-Borono-3-fluorobenzamide (CAS No. 874289-22-2) is a specialized boronic acid derivative with significant potential in pharmaceutical and chemical research. This compound, characterized by its unique fluorobenzamide and boronate functional groups, has garnered attention for its role in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern organic synthesis. Researchers and industry professionals are increasingly exploring its applications in drug discovery, bioconjugation, and material science, making it a subject of growing interest in academic and industrial settings.

The molecular structure of 4-Borono-3-fluorobenzamide combines a benzamide scaffold with a boronic acid moiety, enabling versatile reactivity. This design facilitates its use as a building block for complex molecules, particularly in the development of targeted therapeutics. Recent studies highlight its utility in proteolysis-targeting chimeras (PROTACs), a cutting-edge approach in cancer therapy. The fluorine atom enhances metabolic stability, while the boron group allows for precise molecular recognition, addressing key challenges in precision medicine.

In the context of green chemistry, 4-Borono-3-fluorobenzamide aligns with the demand for sustainable synthetic methods. Its compatibility with aqueous reaction conditions and low-toxicity catalysts positions it as an eco-friendly alternative in industrial-scale synthesis. Searches for "boronic acid derivatives in drug development" and "fluorinated benzamide applications" have surged, reflecting its relevance in solving bioavailability and selectivity issues in small-molecule drugs.

From a technical perspective, the compound’s crystalline form and solubility profile are critical for formulation scientists. Analytical techniques like NMR spectroscopy and HPLC purity testing are routinely employed to ensure quality. Discussions on platforms such as ResearchGate and PubMed frequently address its stability under physiological conditions, a hot topic for researchers optimizing drug delivery systems.

Market trends indicate rising demand for 4-Borono-3-fluorobenzamide in contract research organizations (CROs) and academic labs. Queries like "CAS 874289-22-2 supplier" and "boronic acid cross-coupling protocols" dominate search engines, underscoring its commercial and scientific value. Innovations in high-throughput screening further amplify its role in identifying novel enzyme inhibitors, particularly for kinase-targeted therapies.

Future directions for 874289-22-2 include exploring its biocompatibility in nanomedicine and theranostic agents. As the scientific community prioritizes personalized treatment, this compound’s modular design offers a template for next-generation diagnostics. Its integration into AI-driven drug design workflows, a trending topic in computational chemistry, exemplifies its cross-disciplinary impact.

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