3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic acid|870778-98-6,AngeneChemical

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3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic acid

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Chemical Name:	3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic acid
CAS Number:	870778-98-6
Product Number:	AG003I1P(AGN-PC-0WA798)
Synonyms:
MDL No:
Molecular Formula:	C14H12BF3O3
Molecular Weight:	296.0495

Identification/Properties
Safety Information
NMR Spectrum
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Identification/Properties

Properties

MP:

90-133℃

Storage:

Keep in dry area;2-8℃;

Form:

Solid

Computed Properties

Molecular Weight:

296.052g/mol

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

296.083g/mol

Monoisotopic Mass:

296.083g/mol

Topological Polar Surface Area:

49.7A^2

Heavy Atom Count:

Formal Charge:

Complexity:

325

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

N/A

Signal Word:

UN#:

Hazard Statements:

Precautionary Statements:

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

$Name$ is a highly versatile and widely used chemical compound in the field of organic synthesis. This compound, also known as 3-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronic acid, plays a crucial role as a key building block in the creation of complex organic molecules through various chemical reactions and transformations.Its unique structure and reactivity make it particularly valuable for a range of applications, especially in the synthesis of pharmaceuticals, agrochemicals, and materials science. $Name$ serves as a potent precursor for the introduction of the boronic acid functional group into organic molecules, enabling further derivatization and modification to tailor the properties of the final products.In chemical synthesis, $Name$ is commonly employed as a reagent for Suzuki-Miyaura cross-coupling reactions, where it reacts with various electrophiles, such as aryl halides or pseudohalides, to form biaryl compounds. This versatile transformation is widely utilized in the construction of carbon-carbon bonds, facilitating the creation of complex molecular frameworks with high efficiency and selectivity.Additionally, $Name$ can participate in other important reactions, including metal-catalyzed C-H activation, palladium-catalyzed arylation, and transition metal-catalyzed borylation, broadening its scope of applications in modern organic synthesis. Its trifluoromethyl and phenyl groups confer unique electronic and steric properties that enhance the diversity and complexity of potential chemical transformations.Overall, $Name$ represents a valuable tool for synthetic chemists seeking to access novel organic compounds with tailored properties and functionalities. Its broad utility and versatility make it an indispensable component in the toolkit of researchers and practitioners working at the forefront of chemical innovation.