Methanesulfonato(2-di-t-butylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II)

Product Information

Molecular Formula
C43H60NO3PPdS
Molecular Weight
808.40
Description
Methanesulfonato(2-di-t-butylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II) (t-BuXPhos Pd G4) is a Buchwald fourth-generation palladacycle precatalyst featuring a t-BuXPhos ligand and a 2'-methylamino-1,1'-biphenyl-2-yl palladacycle core with a methanesulfonate counterion. It is a powerful precatalyst for classic cross-coupling reactions such as Suzuki-Miyaura, Buchwald-Hartwig amination, and C-N bond formation. The compound is bench-stable and soluble in most organic solvents. The t-BuXPhos ligand provides excellent steric and electronic properties for challenging coupling reactions. This precatalyst is part of the Buchwald Palladacycle Precatalyst Kit and is used in pharmaceutical synthesis and organic chemistry research.
Synonyms
t-ButylXPhos Pd G4; Palladium, [bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2'-(methylamino-κN)[1,1'-biphenyl]-2-yl-κC]-, (SP-4-3)-; (SP-4-3)-[Bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2'-(methylamino-κN)[1,1'-biphenyl]-2-yl-κC]palladium; t-BuXphos Palladacycle Gen. 4; Methanesulfonato(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II)
IUPAC Name
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonate;N-methyl-2-phenylaniline;palladium(2+)
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)[O-].[Pd+2]
InChI
InChI=1S/C29H45P.C13H12N.CH4O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h13-21H,1-12H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;+2/p-1
InChI Key
IANCYBQHWUDLAT-UHFFFAOYSA-M
Purity
98%
Appearance
Light yellow powder
Storage
Store at 2-8 °C, protect from light, under nitrogen
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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