t-BuDavePhos Pd G3

Product Information

Molecular Formula
C35H45N2O3PPdS
Molecular Weight
711.21
Description
t-BuDavePhos Pd G3 is a Buchwald third-generation palladacycle precatalyst featuring a t-BuDavePhos ligand and a 2'-amino-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-BuDavePhos 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
Methanesulfonato2-Di-t-butylphosphino-2'-(N,N-dimethylamino)biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II); t-BuDavePhos Palladacycle Gen. 3; [2'-(Amino-kappaN)[1,1'-biphenyl]-2-yl-kappaC][2'-[bis(1,1-dimethylethyl)phosphino-kappaP]-N,N-dimethyl[1,1'-biphenyl]-2-amine](methanesulfonato-kappaO)palladium; 2'-(di-tert-butylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amine methylene chloride {2'-amino-[1,1'-biphenyl]-2-yl}palladiumylium mesylate; Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][2'-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1'-biphenyl]-2-amine](methanesulfonato-κO)-; [2'-(Amino-κN)[1,1'-biphenyl]-2-yl-κC][2'-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1'-biphenyl]-2-amine](methanesulfonato-κO)palladium; Palladium, (2'-amino[1,1'-biphenyl]-2-yl)(methanesulfonato-kappaO)-, compd. with 2'-[bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1'-biphenyl]-2-amine (1:1); Methanesulfonato[2-(di-t-butylphosphino)-2'-(N,N-dimethylamino)-1,1'-biphenyl](2'-amino-1,1'-biphenyl-2-yl)palladium(II)
IUPAC Name
2-(2-ditert-butylphosphanylphenyl)-N,N-dimethylaniline;methanesulfonate;palladium(2+);2-phenylaniline
SMILES
CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2N(C)C)C(C)(C)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]
InChI
InChI=1S/C22H32NP.C12H10N.CH4O3S.Pd/c1-21(2,3)24(22(4,5)6)20-16-12-10-14-18(20)17-13-9-11-15-19(17)23(7)8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-16H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;+2/p-1
InChI Key
RGTUYPAURBKPFN-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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