Cas no 1187951-62-7 (Potassium 4-Phenoxyphenyltrifluoroborate)

Potassium 4-Phenoxyphenyltrifluoroborate is an organoboron compound widely used in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The trifluoroborate moiety enhances hydrolytic stability compared to boronic acids, making it suitable for prolonged storage and handling under ambient conditions. Its phenoxyphenyl group facilitates the synthesis of biaryl ethers and complex aromatic structures, valuable in pharmaceutical and materials chemistry. The potassium salt form improves solubility in polar solvents, ensuring efficient reaction kinetics. This reagent is particularly advantageous for applications requiring mild conditions and high functional group tolerance. Its consistent performance and compatibility with diverse catalytic systems make it a reliable choice for synthetic organic chemistry.
Potassium 4-Phenoxyphenyltrifluoroborate structure
1187951-62-7 structure
Product Name:Potassium 4-Phenoxyphenyltrifluoroborate
CAS No:1187951-62-7
MF:C12H9BF3KO
MW:276.103774785995
MDL:MFCD18605928
CID:3048498
PubChem ID:63676588
Update Time:2025-10-30

Potassium 4-Phenoxyphenyltrifluoroborate Chemical and Physical Properties

Names and Identifiers

    • 1-METHYL-4-PHENOXYBENZENE
    • 1187951-62-7
    • Potassium 4-phenoxyphenyltrifluoroborate
    • AS-2960
    • MFCD18605928
    • potassium trifluoro(4-phenoxyphenyl)boranuide
    • E85475
    • potassiumtrifluoro(4-phenoxyphenyl)boranuide
    • EN300-5103784
    • Potassium trifluoro(4-phenoxyphenyl)borate
    • AKOS012987561
    • potassium;trifluoro-(4-phenoxyphenyl)boranuide
    • Potassium 4-Phenoxyphenyltrifluoroborate
    • MDL: MFCD18605928
    • Inchi: 1S/C12H9BF3O.K/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11;/h1-9H;/q-1;+1
    • InChI Key: BCYOESXWWBSVBY-UHFFFAOYSA-N
    • SMILES: [K+].F[B-](C1C=CC(=CC=1)OC1C=CC=CC=1)(F)F

Computed Properties

  • Exact Mass: 276.0335610g/mol
  • Monoisotopic Mass: 276.0335610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 236
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2?2

Potassium 4-Phenoxyphenyltrifluoroborate Security Information

Potassium 4-Phenoxyphenyltrifluoroborate Pricemore >>

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Potassium 4-Phenoxyphenyltrifluoroborate Related Literature

Additional information on Potassium 4-Phenoxyphenyltrifluoroborate

Potassium 4-Phenoxyphenyltrifluoroborate (CAS No. 1187951-62-7): A Versatile Boronic Acid Derivative in Modern Organic Synthesis

In the realm of organic chemistry, Potassium 4-Phenoxyphenyltrifluoroborate (CAS No. 1187951-62-7) has emerged as a pivotal compound for researchers and industrial applications alike. This boronic acid derivative is renowned for its stability, solubility, and reactivity, making it a cornerstone in Suzuki-Miyaura cross-coupling reactions. With the growing demand for efficient C-C bond formation strategies, this compound has garnered significant attention in pharmaceutical, agrochemical, and materials science sectors.

The 4-phenoxyphenyl moiety in Potassium 4-Phenoxyphenyltrifluoroborate enhances its versatility, enabling selective functionalization in complex molecular architectures. Recent trends highlight its utility in drug discovery, particularly in the synthesis of biaryl scaffolds, a common motif in FDA-approved therapeutics. As the pharmaceutical industry shifts toward green chemistry and sustainable practices, this compound’s compatibility with aqueous conditions and mild reaction parameters aligns perfectly with modern eco-friendly synthesis goals.

From an analytical perspective, Potassium 4-Phenoxyphenyltrifluoroborate exhibits excellent stability under ambient conditions, addressing a key challenge in handling boron-based reagents. Its trifluoroborate salt form mitigates hydrolysis risks, a frequent concern with traditional boronic acids. This attribute is particularly valuable in high-throughput screening and combinatorial chemistry, where reagent longevity is critical.

Beyond synthetic applications, this compound’s role in material science is gaining traction. Researchers are exploring its incorporation into organic electronic materials, such as OLEDs and photovoltaic devices, owing to its electron-deficient aromatic system. The phenoxy group further allows for tunable steric and electronic effects, enabling precise control over material properties—a hot topic in next-generation optoelectronics.

Frequently asked questions in search engines, such as "How to store Potassium 4-Phenoxyphenyltrifluoroborate?" or "Alternative reagents for Suzuki coupling", reflect user interest in practical handling and comparative efficacy. Proper storage recommendations include moisture-free environments at room temperature, while alternatives like pinacol boronic esters may offer complementary benefits in specific cases.

In conclusion, Potassium 4-Phenoxyphenyltrifluoroborate (CAS No. 1187951-62-7) exemplifies the synergy between academic research and industrial innovation. Its adaptability across cross-coupling reactions, drug development, and advanced materials underscores its indispensability in contemporary chemistry. As AI-driven molecular design accelerates, compounds like this will remain at the forefront of rational synthesis strategies.

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