567221

Tris(3,3′,3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate

• Linear Formula: Pd(P(C₆H₄SO₃·Na)₃)₃ · 9H₂O
• CAS Number: 176483-72-0
• Molecular Weight: 1982.89
• MDL number: MFCD08457632
• UNSPSC Code: 12161600
• PubChem Substance ID: 24880354
• NACRES: NA.22

Properties

• form: solid
• reaction suitability: core: palladium; reaction type: Buchwald-Hartwig Cross Coupling Reaction; reaction type: Cross Couplings; reaction type: Heck Reaction; reaction type: Hiyama Coupling; reaction type: Negishi Coupling; reaction type: Sonogashira Coupling; reaction type: Stille Coupling; reaction type: Suzuki-Miyaura Coupling; reagent type: catalyst
• mp: >300 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Pd].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S(=O)(=O)c1cccc(c1)P(c2cccc(c2)S([O-])(=O)=O)c3cccc(c3)S([O-])(=O)=O.[O-]S(=O)(=O)c4cccc(c4)P(c5cccc(c5)S([O-])(=O)=O)c6cccc(c6)S([O-])(=O)=O.[O-]S(=O)(=O)c7cccc(c7)P(c8cccc(c8)S([O-])(=O)=O)c9cccc(c9)S([O-])(=O)=O
• InChI: 1S/3C18H15O9PS3.9Na.9H2O.Pd/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;;;;;;;;;;;;;;;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;;;;;;;9*1H2;/q;;;9*+1;;;;;;;;;;/p-9
• InChI key: RZJLWYKBARRAJM-UHFFFAOYSA-E

Description

Application

Tris(3,3′,3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate (Pd-TPPTS complex) supported by layered double hydroxide (LDH) can be used as an efficient catalyst in the cycloisomerization of acetylenic carboxylic acids to the corresponding 5-membered heterocycles.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves