CAS 179113-90-7 3-(Trifluoromethoxy)phenylboronic acid

NAVIGATION

3-(Trifluoromethoxy)phenylboronic acid

PRICE INQUIRY

Catalog Number

ACM179113907-1

CAS Number

179113-90-7

Product Name

3-(Trifluoromethoxy)phenylboronic acid

Structure

Category

Salt

Synonyms

AKOS BRN-0169;3-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;3-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID;RARECHEM AH PB 0067;M-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;3-(Trifluoromethoxy)phenylboronic aicd;4-3-(TRIFLUOROMETHOXY)PHENYLBORONIC ACIDACID;3-(Trifluoromethoxy

IUPAC Name

[3-(trifluoromethoxy)phenyl]boronic acid

Molecular Weight

205.93g/mol

Molecular Formula

C7H6BF3O3

Canonical SMILES

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

InChI

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

InChI Key

UWDFWVLAHRQSKK-UHFFFAOYSA-N

Application

3-(Trifluoromethoxy)phenylboronic acid, which appears as an almost white to slightly beige powder and chunk, serves as a versatile precursor in the synthesis of a wide array of biologically active compounds. Its applications are extensive and include the creation of multisubstituted purines for P2X7 antagonists used in pain management, the development of heteroaryl substituted tetrahydropyrroloijquinolinone derivatives as aldosterone synthase inhibitors, and the production of fluorohydroquinolineethanol as a CETP inhibitor. Furthermore, this compound is vital in synthesizing biaryl amides that act as muscarinic acetylcholine receptor subtype M1 agonists, as well as C2-aryl pyrrolobenzodiasepine compounds with antitumor properties, and piperazine-bisamide for obesity treatments.

Complexity

186

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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