Cas no 1192045-31-0 (2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)

2-[2-Fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a high-purity boronic ester derivative widely used in Suzuki-Miyaura cross-coupling reactions. Its key advantages include enhanced stability under ambient conditions compared to boronic acids, facilitating easier handling and storage. The electron-withdrawing fluoro and trifluoromethyl substituents improve reactivity in coupling reactions, particularly for constructing complex aryl-aryl bonds. The tetramethyl dioxaborolane moiety ensures consistent performance in demanding synthetic applications. This compound is particularly valuable in pharmaceutical and agrochemical research, where selective functionalization of aromatic systems is required. Its well-defined structure and reliable reactivity make it a preferred intermediate for precision synthesis.
2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE structure
1192045-31-0 structure
Product Name:2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No:1192045-31-0
MF:C13H15BF4O2
MW:290.061618089676
MDL:MFCD12923173
CID:4471342
PubChem ID:56973225
Update Time:2025-05-26

2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE Chemical and Physical Properties

Names and Identifiers

    • 2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
    • 2-Fluoro-5-(trifluoromethyl)phenylboronic acid pinacol ester
    • 1,3,2-Dioxaborolane, 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
    • 2-(2-Fluoro-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2-FLUORO-5-(TRIFLUOROMETHY)LPHENYLBORONIC ACID PINACOL ESTER
    • MFCD12923173
    • AKOS017560271
    • MB12084
    • E90805
    • CS-0189204
    • 1192045-31-0
    • EN300-1706298
    • HTWDNOHKJZHVNK-UHFFFAOYSA-N
    • 2-FLUORO-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID PINACOL ESTER
    • MDL： MFCD12923173
    • Inchi： 1S/C13H15BF4O2/c1-11(2)12(3,4)20-14(19-11)9-7-8(13(16,17)18)5-6-10(9)15/h5-7H,1-4H3
    • InChI Key： HTWDNOHKJZHVNK-UHFFFAOYSA-N
    • SMILES： FC1=CC=C(C(F)(F)F)C=C1B1OC(C)(C)C(C)(C)O1

Computed Properties

  • Exact Mass: 290.1101225g/mol
  • Monoisotopic Mass: 290.1101225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 354
  • 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: 18.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 294.7±40.0 °C at 760 mmHg
  • Flash Point: 132.1±27.3 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE Security Information

2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE Pricemore >>

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2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE Related Literature

Additional information on 2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

Comprehensive Overview of 2-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE (CAS No. 1192045-31-0)

2-[2-Fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1192045-31-0) is a highly specialized boronic ester compound widely utilized in organic synthesis, pharmaceutical research, and material science. Its unique molecular structure, featuring a fluorinated phenyl ring and a dioxaborolane moiety, makes it a valuable intermediate for Suzuki-Miyaura cross-coupling reactions, a cornerstone in modern drug discovery and advanced material development.

The growing demand for fluorinated boronic esters like this compound is driven by their exceptional reactivity and stability under various reaction conditions. Researchers often search for "best fluorinated boronic acid derivatives" or "applications of dioxaborolane in drug synthesis," reflecting the compound's relevance in cutting-edge chemistry. Its trifluoromethyl group enhances lipophilicity, a critical factor in optimizing drug candidates for improved bioavailability, a topic frequently discussed in medicinal chemistry forums.

In the context of green chemistry, this compound aligns with the industry's shift toward sustainable synthesis methods. Queries such as "eco-friendly boron reagents" or "low-toxicity coupling partners" highlight user interest in environmentally benign alternatives. The tetramethyl substitution on the dioxaborolane ring contributes to its air and moisture stability, reducing the need for stringent handling conditions—a significant advantage for industrial-scale applications.

Analytical techniques like NMR spectroscopy and HPLC purity analysis are essential for characterizing this compound, addressing common search terms like "how to validate boronic ester purity." Its CAS No. 1192045-31-0 serves as a unique identifier in regulatory documentation and patent literature, crucial for researchers investigating "IP protection for specialty chemicals."

Emerging trends in bioconjugation and proteolysis-targeting chimeras (PROTACs) have further amplified interest in this compound. Searches for "boron in targeted protein degradation" underscore its potential in next-generation therapeutics. The fluoro and trifluoromethyl groups also make it a candidate for PET tracer development, linking to popular topics like "molecular imaging probes."

From a commercial perspective, suppliers often highlight its role in "high-value pharmaceutical intermediates," catering to manufacturers seeking "scalable boron reagents." Storage recommendations typically emphasize protection from prolonged light exposure, aligning with queries about "long-term stability of organoboron compounds."

In summary, 2-[2-Fluoro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane represents a versatile tool for researchers pushing boundaries in precision synthesis and drug design innovation. Its multifaceted applications continue to inspire investigations into "new boron-based catalytic systems" and "fluorine in agrochemicals," cementing its status as a compound of enduring scientific and industrial significance.

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