CAS 139301-27-2 4-(Trifluoromethoxy)phenylboronic Acid, (contains varying amounts of Anhydride)

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4-(Trifluoromethoxy)phenylboronic Acid, (contains varying amounts of Anhydride)

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Catalog Number

ACM139301272-1

CAS Number

139301-27-2

Product Name

4-(Trifluoromethoxy)phenylboronic Acid, (contains varying amounts of Anhydride)

Structure

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

[4-(trifluoromethoxy)phenyl]boronic acid

Molecular Weight

205.93g/mol

Molecular Formula

C7H6BF3O3

Canonical SMILES

B(C1=CC=C(C=C1)OC(F)(F)F)(O)O

InChI

InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H

InChI Key

HUOFUOCSQCYFPW-UHFFFAOYSA-N

Application

4-(Trifluoromethoxy)phenylboronic Acid serves as a versatile reagent, primarily utilized in the synthesis of biologically active molecules and pharmaceuticals. This white to beige crystalline powder is particularly significant in the development of orally bioavailable matrix metalloproteinase inhibitors, which are crucial in various therapeutic applications. Furthermore, it plays a vital role in creating chromen-4-one inhibitors targeted at DNA-dependent protein kinases. The compound's reactivity facilitates the synthesis of several critical compounds, including lactate dehydrogenase inhibitors for combating cancer cell proliferation, nitro-phenoxybenzoic acid derivatives for PAI-1 inhibition, and PA-824 analogs employed in antituberculosis drugs. It is also instrumental in the modulation of survival motor neuron proteins. Moreover, 4-(Trifluoromethoxy)phenylboronic Acid is a valuable reactant in addition reactions and cross-coupling reactions, such as the Suzuki-Miyaura cross-coupling, further highlighting its role in complex chemical synthesis.

Complexity

178

Covalently-Bonded Unit Count

Exact Mass

206.036209g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

206.036209g/mol

Rotatable Bond Count

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