Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 172418-32-5, is researched, SMILESS is CC1=C([P]2([Pd+2]3([CH2-]C4=C2C=CC=C4)[O-]/C(C)=O[Pd+2]5([O-]/C(C)=O3)[P](C6=C(C)C=CC=C6)(C7=C([CH2-]5)C=CC=C7)C8=C(C)C=CC=C8)C9=C(C)C=CC=C9)C=CC=C1, Molecular C46H46O4P2Pd2Journal, Article, Journal of the American Chemical Society called Kinetics and Mechanistic Aspects of the Heck Reaction Promoted by a CN-Palladacycle, Author is Consorti, Crestina S.; Flores, Fabricio R.; Dupont, Jairton, the main research direction is Heck reaction catalyst carbon nitrogen coordinated palladacycle kinetics mechanism.COA of Formula: C46H46O4P2Pd2.
In the Heck reaction between aryl halides and Bu acrylate, the palladacycle {Pd[κ1-C, κ1-N-C:(C6H5)C(Cl)CH2NMe2](μ-Cl)}2, 1, is merely a reservoir of the catalytically active Pd(0) species [1] (Pd colloids or highly active forms of low ligated Pd(0) species) that undergoes oxidative addition of the aryl halide on the surface with subsequent detachment, generating homogeneous Pd(II) species. The main catalytic cycle is initiated by oxidative addition of iodobenzene to [1], followed by the reversible coordination of the olefin to the oxidative addition product. All the unimol. subsequent steps are indistinguishable kinetically and can be combined in a single step. This kinetic model predicts that a slight excess of alkene relative to iodobenzene leads to a rapid rise in the Pd(0) concentration while when using a slight excess of iodobenzene, relative to alkene, the oxidative addition product is the resting state of the catalytic cycle. Competitive experiments of various bromoarenes and iodoarenes with Bu acrylate catalyzed by 1 and CS, CP, and NCN palladacycles gave the same ρ value (2.4-2.5 for Ar-Br and 1.7-1.8 for Ar-I) for all palladacycles employed, indicating that they generate the same species in the oxidative addition step. The excellent fit of the slope with the σ0 Hammett parameter and the entropy of activation of -43 ± 8 J mol-1 K-1 are consistent with an associative process involving the development of only a partial charge in the transition state for the oxidative step of iodobenzene.
The article 《Kinetics and Mechanistic Aspects of the Heck Reaction Promoted by a CN-Palladacycle》 also mentions many details about this compound(172418-32-5)COA of Formula: C46H46O4P2Pd2, you can pay attention to it, because details determine success or failure
Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate