207512-65-0

Basic information

• Product Name: Pd(OOCC₆H₄SCH(CH₃)2)(P(C₆H₅)3)(C₆H₅)
• CAS NO: 207512-65-0
• Molecular Weight: 641.079
• Mol File: 207512-65-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Pd(OOCC₆H₄SCH(CH₃)2)(P(C₆H₅)3)(C₆H₅)(CAS DataBase Reference)
• NIST Chemistry Reference: Pd(OOCC₆H₄SCH(CH₃)2)(P(C₆H₅)3)(C₆H₅)(207512-65-0)
• EPA Substance Registry System: Pd(OOCC₆H₄SCH(CH₃)2)(P(C₆H₅)3)(C₆H₅)(207512-65-0)

Safety Data

• Hazardous Substances Data: 207512-65-0(Hazardous Substances Data)

Upstream product

• 63864-53-9 trans-[Pd(Ph)Cl(PPh₃)2] 
• 41394-95-0 2-isopropylmercaptobenzoic acid 
• 207512-63-8 trans-2-isopropylthiobenzoatobis(triphenylphosphine)phenylpalladium(II) 

Relevant articles and documents

Thioethercarboxylates in palladium chemistry: First proof of hemilabile properties of S-O ligands1

The reaction of trans-[PdCl(Ph)(PPh3)2] with the thallium salts 2-RS-C6H4-COOTl (R=Me, Et, i-Pr or t-Bu) yields the compounds trans-[Pd(OOC-C6H4-2-SR-κ1-O)Ph(PPh 3)2] (1a-d). The solid state structure of the compound with R=Et has been confirmed by X-ray analysis. In solution, however, an equilibrium is established between certain complexes in which one PPh3 ligand is replaced by the sulphur atom of the S-O ligand to afford chelates. The position of the equilibrium depends on both the electron density on the sulphur and the polarity of the solvent used. The standard free energy and activation energy of the mentioned equilibrium are ΔG0=22 kJ/mol and EA=25-30 kJ/mol for the complex with R=i-Pr (1c).