Cas no 1072951-60-0 (2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid)

2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid is a boronic acid derivative featuring a trifluoromethylphenoxy moiety, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its boronic acid group enables participation in Suzuki-Miyaura cross-coupling reactions, facilitating the construction of complex biaryl structures. The trifluoromethyl group enhances lipophilicity and metabolic stability, which is advantageous in drug design. This compound is particularly useful in the development of bioactive molecules, including kinase inhibitors and agrochemicals. Its well-defined reactivity and stability under typical coupling conditions make it a reliable choice for researchers seeking precise functionalization in medicinal chemistry and materials science. Proper handling under inert conditions is recommended to preserve its reactivity.
2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid structure
1072951-60-0 structure
Product Name:2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid
CAS No:1072951-60-0
MF:C14H12BF3O3
MW:296.049494743347
MDL:MFCD09038421
CID:857241
PubChem ID:24884823
Update Time:2025-05-24

2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (2-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
    • 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid
    • 666866_ALDRICH
    • ACMC-2098t7
    • AG-D-22549
    • AG-L-63562
    • ANW-15689
    • CTK4A5294
    • SureCN2560802
    • 2-[[3′-(Trifluormethyl)-phenoxy]-methyl]-phenylborons?ure
    • MFCD09038421
    • SCHEMBL2560802
    • [2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
    • 1072951-60-0
    • (2-{[3-(Trifluoromethyl)phenoxy]methyl}phenyl)boronic acid
    • AKOS010795804
    • CS-0175253
    • 2-[(3'-(Trifluoromethyl)phenoxy)methyl]phenylboronic acid
    • YCLVPNCQCUGEIR-UHFFFAOYSA-N
    • (2-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronicacid
    • DTXSID70584807
    • BS-25748
    • 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid
    • MDL: MFCD09038421
    • Inchi: 1S/C14H12BF3O3/c16-14(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)15(19)20/h1-8,19-20H,9H2
    • InChI Key: YCLVPNCQCUGEIR-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C=1)OCC1C=CC=CC=1B(O)O)(F)F

Computed Properties

  • Exact Mass: 296.0831589g/mol
  • Monoisotopic Mass: 296.0831589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 325
  • 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: 49.7?2

Experimental Properties

  • Density: 1.33±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 97-101?°C
  • Solubility: Almost insoluble (0.014 g/l) (25 o C),

2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H413
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

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Additional information on 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid

2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid: A Comprehensive Overview

2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid, also known by its CAS number 1072951-60-0, is a highly specialized organic compound with significant applications in modern chemistry and materials science. This compound has garnered attention due to its unique structural properties and potential for use in advanced chemical synthesis and drug development.

The molecular structure of 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid is characterized by a phenyl group substituted with a trifluoromethyl moiety, which introduces electron-withdrawing effects, enhancing the compound's reactivity in various chemical reactions. The presence of the boronic acid group further adds versatility, making it a valuable intermediate in cross-coupling reactions such as the Suzuki-Miyaura coupling, which is widely used in the synthesis of biaryls and other complex molecules.

Recent studies have highlighted the importance of phenylboronic acids in the development of novel materials for optoelectronic applications. Researchers have demonstrated that compounds like 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid can serve as precursors for the synthesis of highly conductive polymers, which are critical for next-generation electronic devices. The trifluoromethyl substitution not only enhances stability but also improves the thermal properties of the resulting materials, making them suitable for high-temperature applications.

In the field of drug discovery, this compound has shown promise as a building block for designing bioactive molecules with specific pharmacological properties. The trifluoromethyl group is known to enhance lipophilicity and improve drug absorption, while the boronic acid moiety facilitates modular synthesis, allowing chemists to explore a wide range of structural variations efficiently.

The synthesis of 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid typically involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. Recent advancements in catalytic methods have enabled more efficient syntheses, reducing production costs and environmental impact. These developments underscore the importance of continuous innovation in synthetic chemistry to meet the growing demand for specialized compounds like this one.

In conclusion, 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic Acid, with its unique combination of functional groups and versatile reactivity, stands as a pivotal compound in contemporary chemical research. Its applications span across multiple disciplines, from materials science to pharmaceuticals, and ongoing research continues to unlock new potentials for this remarkable molecule.

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