796104-51-3

Basic information

• Product Name: [(isopropyl)2PB(phenyl)]2
• Synonyms: [(isopropyl)2PB(phenyl)]2
• CAS NO: 796104-51-3
• Molecular Weight: 410.135
• Mol File: 796104-51-3.mol

Chemical Properties

• CAS DataBase Reference: [(isopropyl)2PB(phenyl)]2(CAS DataBase Reference)
• NIST Chemistry Reference: [(isopropyl)2PB(phenyl)]2(796104-51-3)
• EPA Substance Registry System: [(isopropyl)2PB(phenyl)]2(796104-51-3)

Safety Data

• Hazardous Substances Data: 796104-51-3(Hazardous Substances Data)

Upstream product

• 591-51-5 phenyllithium 
• 1068595-96-9 ((CH₃)3C)((CH₃)2N)BB(C₆H₅)(N(CH₃)2) 
• 1068596-00-8 ((CH₃)3C)(Cl)BB(C₆H₅)(Cl) 
• 21502-53-4 lithium diisopropylphosphide 
• 796104-50-2 [(isopropyl)2PB(phenyl)]2-diyl 
• 76182-05-3 Diisopropyl(trimethylsilyl)phosphine 
• 873-51-8 phenylborondichloride 
• 796104-53-5 [(isopropyl)2PB(Cl)(phenyl)]2 

Relevant articles and documents

1,3-Diborata-2,4-diphosphoniocyclobutane-1,3-diyls communicate through a para-phenylene linker

The presence of a second 1,3-diborata-2,4-diphosphoniocyclobutane-1,3-diyl in the para-position of a phenylene linker favors the diradical form over the 1,3-diborata-2,4-diphosphoniobicyclo[1.1.0]butane bond stretch isomer, as long as the two planar diradical units are coplanar with the linker. This demonstrates that two BPBP diradicals communicate through the phenyl ring.

Evidence for the coexistence of two bond-stretch isomers in solution

Lowering the temperature breaks the σ bond in the interconversion of 1,3-dibora-2,4-diphosphoniocyclobutane-1,3-diyl and its bicyclo[1.1.0]butane bond-stretch isomer (see picture). Variable-temperature NMR and UV/Vis experiments demonstrate for the first