252245-52-6

Basic information

• Product Name: (OC₆H₄P(C₆H₅)2)2PN(NP(OC₆H₄)2)2
• Synonyms: (OC₆H₄P(C₆H₅)2)2PN(NP(OC₆H₄)2)2
• CAS NO: 252245-52-6
• Molecular Weight: 1057.89
• Mol File: 252245-52-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (OC₆H₄P(C₆H₅)2)2PN(NP(OC₆H₄)2)2(CAS DataBase Reference)
• NIST Chemistry Reference: (OC₆H₄P(C₆H₅)2)2PN(NP(OC₆H₄)2)2(252245-52-6)
• EPA Substance Registry System: (OC₆H₄P(C₆H₅)2)2PN(NP(OC₆H₄)2)2(252245-52-6)

Safety Data

• Hazardous Substances Data: 252245-52-6(Hazardous Substances Data)

Upstream product

• 5068-21-3 4-(diphenylphosphanyl)phenol 
• 128175-80-4 2,2-dichloro-4,4,6,6-bis[spiro(2',2''-dioxy-1'',1''-biphenyl)]cyclotriphosphazene 

Relevant articles and documents

Synthesis and characterization of a palladium(0) complex with cyclophosphazene bearing two diphenylphosphine ligands and application in Suzuki-Miyaura cross-coupling

This paper describes the synthesis of a cyclophosphazene-based diphenylphosphine ligand and a new Pd(0) complex. Infrared spectroscopy (ATR-IR), ESI+-MS, 31P, 1H and 13C NMR, Raman, WD-XRF, ICP-OES and TGA analysis show the coordination of two palladium atoms per unit of cyclophosphazene. A semiempirical calculation method was employed to find the lowest energy structure among the possible ones and Density Functional Theory (DFT) was used to optimize the found structure and obtain its bond angles, dihedral angles, bond lengths, atomic distances, and to calculate the vibrational spectrum (PBE/def2-TZVP(-f)). The new Pd complex showed activity in Suzuki-Miyaura cross-coupling reactions with halobenzenes and phenylboronic acid, tolerating different functional groups.