708518

1,3-Bis(diphenylphosphinomethyl)benzene

• Synonym(s): α,α′-Bis(diphenylphosphino)-m-xylene, [1,3-Phenylenebis(methylene)]bis[diphenyl]phosphine
• Empirical Formula (Hill Notation): C₃₂H₂₈P₂
• CAS Number: 89756-88-7
• Molecular Weight: 474.51
• MDL number: MFCD16621402
• UNSPSC Code: 12352002
• PubChem Substance ID: 329762803
• NACRES: NA.22

Properties

• form: powder
• reaction suitability: reaction type: Buchwald-Hartwig Cross Coupling Reaction; reaction type: Heck Reaction; reaction type: Hiyama Coupling; reaction type: Negishi Coupling; reaction type: Sonogashira Coupling; reaction type: Stille Coupling; reaction type: Suzuki-Miyaura Coupling; reagent type: ligand
• mp: 50-55 °C
• functional group: phosphine
• SMILES string: C(P(c1ccccc1)c2ccccc2)c3cccc(CP(c4ccccc4)c5ccccc5)c3
• InChI: 1S/C32H28P2/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-26H2
• InChI key: QLSOZHFOFHARBJ-UHFFFAOYSA-N

Description

Application

Reactant for:

• Cyclometalation of pincer ligands
• Insertion of carbon dioxide into (PCP)PDII-Me Bonds
• Synthesis of iridium complexes containing bidentate phosphine ligands
• Transcyclometalation processes
• Synthesis of vinylidene and carbyne complexes

Safety Information

• hcodes: H413
• pcodes: P273 - P501
• Hazard Classifications: Aquatic Chronic 4
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F
• flash_point_c: > 110 °C