Cas no 874219-26-8 (3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid)

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic acid is a boronic acid derivative featuring a tert-butylcarbamoyl substituent and a fluorine atom on the phenyl ring. This compound is primarily utilized as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl structures in pharmaceutical and materials chemistry. The tert-butylcarbamoyl group enhances steric and electronic properties, while the fluorine substituent can influence reactivity and binding interactions. Its stability under typical coupling conditions and compatibility with diverse reaction systems make it a valuable reagent for constructing functionalized aromatic frameworks. The product is typically characterized by high purity and consistent performance in synthetic applications.
3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid structure
874219-26-8 structure
Product Name:3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid
CAS No:874219-26-8
MF:C11H15BFNO3
MW:239.05110669136
MDL:MFCD08235045
CID:709627
PubChem ID:44717587
Update Time:2025-06-15

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (3-(tert-Butylcarbamoyl)-4-fluorophenyl)boronic acid
    • 3-tert-Butylcarbamoyl-4-fluorobenzeneboronic acid
    • [3-(tert-butylcarbamoyl)-4-fluoro-phenyl]boronic acid
    • [3-(tert-butylcarbamoyl)-4-fluorophenyl]boronic acid
    • 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic acid
    • Boronic acid,B-[3-[[(1,1-dimethylethyl)amino]carbonyl]-4-fluorophenyl]-
    • 3-(tert-Butylcarbamoyl)-4-fluorobenzeneboronic acid
    • 3-tert-Butylcarbamoyl-4-fluorophenylboronic acid
    • SBB099028
    • V8434
    • A842143
    • [3-(tert-butylcarbamoyl)-4-fluoranyl-phenyl]
    • MFCD08235045
    • AKOS015838071
    • FT-0736679
    • [3-(tert-butylcarbamoyl)-4-fluoranyl-phenyl]boronic acid
    • [3-[(tert-butylamino)-oxomethyl]-4-fluorophenyl]boronic acid
    • (3-(tert-Butylcarbamoyl)-4-fluorophenyl)boronicacid
    • H11836
    • 874219-26-8
    • DTXSID70660236
    • SCHEMBL14484567
    • AS-68969
    • 3-tert-Butylcarbamoyl-4-fluorobenzeneboronic acid(contains varying amounts of Anhydride)
    • DB-076945
    • 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid
    • MDL: MFCD08235045
    • Inchi: 1S/C11H15BFNO3/c1-11(2,3)14-10(15)8-6-7(12(16)17)4-5-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
    • InChI Key: KHTWLZNHMILCQS-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(B(O)O)C=C1C(NC(C)(C)C)=O

Computed Properties

  • Exact Mass: 239.11300
  • Monoisotopic Mass: 239.113
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 280
  • 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: 69.6

Experimental Properties

  • Color/Form: NA
  • Density: 1.2
  • Melting Point: 218-220
  • Refractive Index: 1.518
  • PSA: 69.56000
  • LogP: 0.42470

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid Security Information

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic 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%

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid Pricemore >>

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3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid Related Literature

Additional information on 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid

Comprehensive Overview of 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid (CAS No. 874219-26-8)

3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid (CAS No. 874219-26-8) is a specialized boronic acid derivative widely utilized in pharmaceutical research, organic synthesis, and material science. This compound belongs to the class of arylboronic acids, which are pivotal intermediates in Suzuki-Miyaura cross-coupling reactions—a cornerstone of modern synthetic chemistry. The presence of both tert-butylcarbamoyl and fluoro substituents enhances its reactivity and selectivity, making it a valuable building block for drug discovery and agrochemical development.

In recent years, the demand for boronic acid-based compounds has surged due to their versatility in bioconjugation, protease inhibition, and cancer therapeutics. Researchers frequently search for "3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid applications" or "CAS 874219-26-8 solubility," reflecting its relevance in medicinal chemistry. Its unique structure enables interactions with biological targets, such as enzymes and receptors, which aligns with the growing interest in targeted drug delivery systems and precision medicine.

The synthesis of 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid typically involves palladium-catalyzed borylation or direct functionalization of fluorinated aromatic precursors. Its boronic acid moiety (–B(OH)2) is particularly noteworthy for forming stable covalent bonds with diols, a property exploited in sensor development and glucose detection. This has sparked inquiries like "boronic acid sensors for diabetes" and "fluorescent probes using CAS 874219-26-8," highlighting its interdisciplinary appeal.

From an industrial perspective, 874219-26-8 is often discussed in contexts such as "scale-up synthesis of boronic acids" and "green chemistry alternatives." The compound’s stability under ambient conditions and compatibility with microwave-assisted reactions further elevate its utility in high-throughput screening. Environmental concerns have also driven searches for "biodegradable boronic acid derivatives," positioning this compound as a candidate for sustainable chemical processes.

In summary, 3-(tert-Butylcarbamoyl)-4-fluorophenylboronic Acid (CAS No. 874219-26-8) exemplifies the convergence of synthetic efficiency and biomedical innovation. Its role in advancing catalysis, diagnostics, and therapeutic design ensures its prominence in both academic and industrial settings. As research trends evolve, this compound will likely remain at the forefront of molecular engineering breakthroughs.

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