CAS 139301-27-2 4-(Trifluoromethoxy)phenylboronic acid

NAVIGATION

4-(Trifluoromethoxy)phenylboronic acid

PRICE INQUIRY

Catalog Number

ACM139301272-4

CAS Number

139301-27-2

Product Name

4-(Trifluoromethoxy)phenylboronic acid

Structure

Category

Salt

Synonyms

AKOS BRN-0136;4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;4-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID;P-TRIFLUOROMETHOXY BENZOBORIC ACID;P-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;RARECHEM AH PB 0078;4-(Trifluoromethoxy)phenylboronicAcid(containsvaryingamountsofAnhydr

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, appearing as a white to beige crystalline powder, serves as a versatile reagent integral to the synthesis of various biologically active compounds. Its primary applications include the development of orally bioavailable matrix metalloproteinase inhibitors, essential in therapeutic settings. Additionally, it is utilized in crafting chromen-4-one inhibitors that target DNA-dependent protein kinases. This compound also plays a crucial role in the creation of lactate dehydrogenase inhibitors, contributing to anti-cancer strategies. Furthermore, it aids in synthesizing nitro-phenoxybenzoic acid derivatives for PAI-1 inhibition, PA-824 analogs that function as antituberculosis drugs, and modulators of the survival motor neuron protein. Its efficacy extends to facilitating addition reactions and cross-coupling reactions, including the Suzuki-Miyaura cross-coupling, enhancing its value in various chemical syntheses.

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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