Cas no 178305-99-2 (2-Fluoro-4-biphenylylboronic acid)

2-Fluoro-4-biphenylylboronic acid is a boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The fluorine substituent enhances electronic properties, facilitating selective coupling in complex synthetic pathways. This compound is particularly valuable in pharmaceutical and materials science research, where precise functionalization of biphenyl scaffolds is required. Its crystalline form ensures ease of handling and storage, while high purity (>97%) minimizes side reactions. The boronic acid group enables efficient transmetalation with palladium catalysts, making it a reliable building block for constructing fluorinated biphenyl structures. Compatibility with aqueous and organic solvents further broadens its utility in diverse reaction conditions.
2-Fluoro-4-biphenylylboronic acid structure
178305-99-2 structure
Product Name:2-Fluoro-4-biphenylylboronic acid
CAS No:178305-99-2
MF:C12H10BFO2
MW:216.016006946564
MDL:MFCD01075707
CID:66095
PubChem ID:2774698
Update Time:2025-06-11

2-Fluoro-4-biphenylylboronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-4-biphenylylboronic acid
    • 3-Fluoro-4-phenylbenzeneboronic acid
    • 2-Fluoro-4-biphenylboronic Acid (contains varying amounts of Anhydride)
    • (3-fluoro-4-phenylphenyl)boronic acid
    • 2-Fluoro-4-biphenylboronic acid
    • 2-Fluorobiphenyl-4-boronic acid
    • 3-Fluoro-4-biphenylboronic acid
    • 4-Borono-2-fluorobiphenyl
    • 3-Fluoro-4-phenylbenzeneboronic Acid (contains varying amounts of Anhydride)
    • Boronicacid, (2-fluoro[1,1'-biphenyl]-4-yl)- (9CI)
    • Boronic acid,B-(2-fluoro[1,1'-biphenyl]-4-yl)-
    • (3-Fluoro-4-(phenyl)phenyl)boronic acid
    • AKOS BRN-0162
    • 3-FLUOROBIPHENYL
    • RARECHEM AH PB 0063
    • 2-Fluorobiphenyl-4-ylboronicacid
    • 2-Fluoro-4-biphenylboronic Acid (3-fluoro-4-phenyl)phenylboronic acid
    • 2-fluorobiphenyl-4-ylboronic acid
    • (3-Fluoro-4-Phenylphenyl)Boranediol
    • 2-Fluoro[1,1'-biphenyl]-4-boronic acid
    • (2-fluoro-[1,1'-biphenyl]-4-yl)boronic acid
    • Boronic acid, (2-fluoro[1,1'-biphenyl]-4-yl)-
    • PubChem11069
    • (3-fluoro-4-phenyl-phenyl)boronic Acid
    • KSC17
    • PS-9628
    • 3-fluoro-4-phenylphenyl boronic acid
    • 2-FLUORO-[1,1'-BIPHENYL]-4-BORONIC ACID
    • J-509350
    • 178305-99-2
    • A22798
    • Boronic acid, B-(2-fluoro[1,1'-biphenyl]-4-yl)-
    • MFCD01075707
    • F0785
    • FT-0612427
    • EN300-1457856
    • DTXSID70379179
    • AMY29818
    • BWYWXDFYJSIUBE-UHFFFAOYSA-N
    • AKOS000285085
    • 2-Fluoro-biphenyl-4-boronic acid
    • AB08175
    • (3-Fluoro-4-biphenyl)boronic acid
    • N11931
    • SCHEMBL625451
    • 2-FLUORO-[1,1'-BIPHENYL]-4-YLBORONIC ACID
    • DB-010426
    • MDL: MFCD01075707
    • Inchi: 1S/C12H10BFO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8,15-16H
    • InChI Key: BWYWXDFYJSIUBE-UHFFFAOYSA-N
    • SMILES: FC1C=C(B(O)O)C=CC=1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 216.07600
  • Monoisotopic Mass: 216.076
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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: 40.5
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1.2500
  • Melting Point: 248°C(lit.)
  • Boiling Point: 377.3°Cat760mmHg
  • Flash Point: 182°C
  • Refractive Index: 1.591
  • PSA: 40.46000
  • LogP: 1.17250
  • Solubility: Insoluble in water

2-Fluoro-4-biphenylylboronic acid Security Information

2-Fluoro-4-biphenylylboronic 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-4-biphenylylboronic acid

Introduction to 2-Fluoro-4-biphenylylboronic Acid (CAS No. 178305-99-2)

2-Fluoro-4-biphenylylboronic acid is a sophisticated organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, identified by its CAS number 178305-99-2, is characterized by its unique structural properties and potential applications in various chemical reactions. The presence of a biphenyl moiety and a fluoro substituent makes it a particularly interesting molecule for researchers exploring novel synthetic pathways and functional materials.

The biphenyl ring, a central feature of this compound, is known for its stability and versatility in organic synthesis. Its aromatic structure allows for multiple points of functionalization, making it a valuable scaffold in the development of complex molecules. The introduction of a borylboronic acid group at the 4-position of the biphenyl ring enhances its reactivity, particularly in cross-coupling reactions such as Suzuki-Miyaura couplings. These reactions are pivotal in the synthesis of biaryl compounds, which are prevalent in many pharmaceuticals and agrochemicals.

The fluoro substituent at the 2-position of the biphenyl ring adds an additional layer of functionality to the molecule. Fluorine atoms are known for their ability to influence the electronic properties and metabolic stability of molecules. In pharmaceuticals, fluorine atoms are often incorporated to improve drug efficacy, bioavailability, and resistance to metabolic degradation. The combination of a biphenyl core with a fluoro group makes 2-Fluoro-4-biphenylylboronic acid a promising candidate for further exploration in drug discovery and development.

In recent years, there has been a surge in research focused on boronic acids due to their utility in various chemical transformations. Boronic acids are particularly valuable in Suzuki-Miyaura cross-coupling reactions, which are widely used to construct biaryl structures. These reactions involve the coupling of an aryl halide or triflate with a boronic acid or ester, facilitated by a palladium catalyst. The use of 2-Fluoro-4-biphenylylboronic acid in such reactions can lead to the formation of novel biaryl compounds with tailored properties.

The applications of 2-Fluoro-4-biphenylylboronic acid extend beyond pharmaceuticals into the realm of materials science. For instance, it can be used in the synthesis of organic semiconductors and liquid crystals, where biaryl structures play a crucial role in determining the electronic and optical properties of the materials. The unique combination of fluorine and biphenyl functionalities makes this compound an attractive building block for designing advanced materials with specific functionalities.

Recent studies have also explored the use of 2-Fluoro-4-biphenylylboronic acid in catalytic systems. The boronic acid group can act as a ligand or intermediate in various catalytic processes, enhancing reaction efficiency and selectivity. For example, it has been investigated as a component in transition metal-catalyzed reactions, where it can facilitate the formation of new carbon-carbon bonds under mild conditions. This capability is particularly valuable in industrial settings where energy efficiency and environmental impact are critical considerations.

The synthesis of 2-Fluoro-4-biphenylylboronic acid involves multi-step organic transformations that highlight its synthetic utility. The introduction of fluorine into the biphenyl ring typically requires careful control to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and directed ortho-metalation strategies, have been employed to achieve this transformation efficiently. These methods not only showcase the versatility of 2-Fluoro-4-biphenylylboronic acid but also contribute to the broader toolkit available for organic synthesis.

In conclusion, 2-Fluoro-4-biphenylylboronic acid (CAS No. 178305-99-2) is a multifunctional compound with significant potential in both pharmaceuticals and materials science. Its unique structural features, including the biphenyl core and fluoro substituent, make it an excellent candidate for various chemical applications. As research continues to uncover new synthetic pathways and functional materials, compounds like 2-Fluoro-4-biphenylylboronic acid will undoubtedly play a crucial role in advancing these fields.

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