404873-89-8

Basic information

• Product Name: 4,5-bis-{dibenzo[d,f]-2,4,3',5'-tetra-tert-butyl[1,3,2]dioxaphosphepino}-9,9-dimethyl-9H-xanthene
• Synonyms: 4,5-bis-{dibenzo[d,f]-2,4,3',5'-tetra-tert-butyl[1,3,2]dioxaphosphepino}-9,9-dimethyl-9H-xanthene
• CAS NO: 404873-89-8
• Molecular Weight: 1087.46
• Mol File: 404873-89-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4,5-bis-{dibenzo[d,f]-2,4,3',5'-tetra-tert-butyl[1,3,2]dioxaphosphepino}-9,9-dimethyl-9H-xanthene(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-bis-{dibenzo[d,f]-2,4,3',5'-tetra-tert-butyl[1,3,2]dioxaphosphepino}-9,9-dimethyl-9H-xanthene(404873-89-8)
• EPA Substance Registry System: 4,5-bis-{dibenzo[d,f]-2,4,3',5'-tetra-tert-butyl[1,3,2]dioxaphosphepino}-9,9-dimethyl-9H-xanthene(404873-89-8)

Safety Data

• Hazardous Substances Data: 404873-89-8(Hazardous Substances Data)

Upstream product

• 19814-75-6 9,9-dimethylxanthene 
• 6390-69-8 3,3',5,5'-tetra(tert-butyl)biphenyl-2,2'-diol 
• 349100-75-0 P,P′-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethylphosphonous diamide] 

Relevant articles and documents

Sterically demanding diphosphonite ligands - Synthesis and application in nickel-catalyzed isomerization of 2-methyl-3-butenenitrile

The synthesis of a novel class of sterically demanding diphosphonites 1-8, based on rigid backbones, is described. The starting materials are all commercially available and the methodology allows for a modular approach. All ligands have been fully characterized, including an X-ray crystal structure for compound 1, 4,5-bis{di[(2-terr-butyl)phenyl]phosphonito}-9,9-dimethylxanthene. The coordination of these diphosphonite ligands towards Ni(II) and Ni(0) precursors is investigated, both by NMR spectroscopy as well as X-ray crystallography and compared with the behaviour of diphosphine ligands such as Xantphos. The molecular structure for complex 9, trans-[NiBr2(1)] is described in detail. The nickel-catalyzed isomerization of 2-methyl-3- butenenitrile to 3-pentenenitrile is studied, a relevant step in the industrially important hydrocyanation of butadiene (the DuPont adiponitrile process). Good activities and selectivities to the desired 3-pentenenitrile are obtained in this reversible C-C bond activation reaction.