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

ACM139301272-2

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, which is available as a white to beige crystalline powder and may contain varying amounts of anhydride, is a versatile reagent primarily utilized in the synthesis of a wide array of biologically active molecules. It plays a crucial role in the development of orally bioavailable matrix metalloproteinase inhibitors, essential for various therapeutic applications. Additionally, it is used in preparing chromen-4-one inhibitors, which target DNA-dependent protein kinases. This compound is integral to the synthesis of lactate dehydrogenase inhibitors designed to curb cancer cell proliferation. Moreover, it contributes to the creation of nitro-phenoxybenzoic acid derivatives employed for PAI-1 inhibition and aids in the development of PA-824 analogs, which are critical in antituberculosis treatments. Furthermore, it serves as a modulatory agent for survival motor neuron protein and is an important reactant in numerous addition and cross-coupling reactions, including the Suzuki-Miyaura cross-coupling process.

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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