Tris(4-methylphenyl)boroxin

CAS Number: 5084-80-0

Molecular Formula: C21H21B3O3

About Tris(4-methylphenyl)boroxin

Tris(4-methylphenyl)boroxin (CAS 5084-80-0) serves as a critical building block in the synthesis of advanced agrochemical intermediates, where its unique trimeric structure is utilized to introduce tolyl moieties with high precision in redox-neutral ortho-functionalization pathways. 4-Methylphenylboronic acid anhydride...

Tris(4-methylphenyl)boroxin Specifications

CAS Number

5084-80-0

Molecular Formula

C21H21B3O3

Molecular Weight

353.8226 g/mol

IUPAC Name

2,4,6-tris(4-methylphenyl)-1,3,5,2,4,6-trioxatriborinane

Canonical SMILES

CC1=CC=C(C=C1)B2OB(OB(O2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI Key

QNOUABMNRMROSL-UHFFFAOYSA-N

CAS Number

5084-80-0

Molecular Formula

C21H21B3O3

Molecular Weight

353.8226 g/mol

IUPAC Name

2,4,6-tris(4-methylphenyl)-1,3,5,2,4,6-trioxatriborinane

Canonical SMILES

CC1=CC=C(C=C1)B2OB(OB(O2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI Key

QNOUABMNRMROSL-UHFFFAOYSA-N

Molecular Weight

353.8226 g/mol

Physical appearance

White to orange to green powder to crystal

Organic Synthesis Building Block

A substituted boroxine derivative used as a reagent or intermediate in organic synthesis, particularly in palladium-catalyzed coupling reactions and the development of functionalized aromatic compounds

Chemical Intermediate

A versatile starting material employed in the synthesis of complex molecules, including pharmaceuticals and agrochemicals, where the boroxine ring serves as a protected or activated form of the corresponding boronic acid

Research Tool

An organoboron compound utilized in materials science and supramolecular chemistry for studying molecular assembly, coordination chemistry, and the development of new catalysts or electronic materials.