9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene

CAS Number: 161265-03-8

Molecular Formula: C39H32OP2

About 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene

9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (CAS 161265-03-8) remains a cornerstone in the United States fine chemicals market, specifically serving as a high-performance bidentate ligand for palladium-catalyzed Buchwald-Hartwig aminations and Suzuki-Miyaura couplings essential for complex API assembly. Xantphos is...

9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene Specifications

CAS Number

161265-03-8

Molecular Formula

C39H32OP2

Molecular Weight

578.63 g/mol

IUPAC Name

(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

Canonical SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

InChI Key

CXNIUSPIQKWYAI-UHFFFAOYSA-N

PubChem CID

636044.0

CAS Number

161265-03-8

Molecular Formula

C39H32OP2

Molecular Weight

578.63 g/mol

IUPAC Name

(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

Canonical SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

InChI Key

CXNIUSPIQKWYAI-UHFFFAOYSA-N

PubChem CID

636044.0

Molecular Weight

578.63 g/mol

Physical appearance

White to light yellow powder to crystal

Bidentate Diphosphine Ligand

A high-performance organophosphorus ligand with a wide bite angle (108°) used extensively in metal-catalyzed reactions, particularly in the hydroformylation of alkenes and various cross-coupling processes

Metal Chelating Agent

A versatile chelating agent employed in palladium-catalyzed C-N cross-coupling and ruthenium-catalyzed alkylations to stabilize transition metal complexes and facilitate efficient catalytic cycles

Organic Synthesis Reagent

A functionalized xanthene derivative used as a key building block in the synthesis of heterocycles and complex organic molecules for pharmaceutical and materials science research

Polymerization Catalyst Component

A specialized ligand utilized in controlled radical polymerization, such as Atom Transfer Radical Polymerization (ATRP), to develop advanced biomaterials and biocompatible polymers.