The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(Bromomethyl)-4-iodobenzene, is researched, Molecular C7H6BrI, CAS is 16004-15-2, about Carbon-halogen bond activation by a structurally constrained phosphorus(III) platform, the main research direction is carbon halogen bond activation steric effect phosphorus; crystal structure mol phosphorus pentacoordinate pincer preparation optimized DFT.Category: piperazines.
The σ-bond activation by main group element has received enormous attention from theor. and exptl. chemists. Here, the reaction of C-X (X = Cl, Br, I) bonds in benzyl and allyl halides with a pincer-type phosphorus(III) species was reported. A series of structurally robust phosphorus(V) compounds were formed via the formal oxidative addition reactions of C-X bonds to the phosphorus(III) center. D. functional theory calculations show that the nucleophilic addition process is more favorable than the direct oxidative addition mechanism. Isomerization of bent structures of phosphorus(III) compound to poorly nucleophilic compounds to undergo further C-X bond activation can be rationalized by frontier MO anal. This study not only provides a deep understanding of the reactivity of phosphorus(III) species but also demonstrates a potential of main group elements for the small-mol. activation.
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Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics