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

ALDRICH/567221

CAS Number: 176483-72-0
Empirical Formula (Hill Notation): C₅₄H₄₅O₂₇P₃PdS₉·9Na·9H₂O
Molecular Weight: 1982.89
MDL Number: MFCD08457632
Linear Formula: Pd(P(C₆H₄SO₃·Na)₃)₃ · 9H₂O
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-567221-500MG	500 mg	$314.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

form	solid
InChI	1S/3C18H15O9PS3.9Na.9H2O.Pd/c319-29(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;;;;;;;;;;;;;;;;;;;/h31-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;;;;;;;91H2;/q;;;9+1;;;;;;;;;;/p-9
InChI key	RZJLWYKBARRAJM-UHFFFAOYSA-E
mp	>300 °C (lit.)
Quality Level	100
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
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
storage temp.	2-8°C

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.
Packaging:	500 mg in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

mp	>300 °C (lit.)
Storage Temp.	2-8°C
UNSPSC	12161600

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