[2'-(Amino-κN)[1,1'-biphenyl]-2-yl-κC](ethanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]palladium

Product Information

Molecular Formula
C26H42NO3PPdS
Molecular Weight
586.07
Description
2'-(Amino-κN)[1,1'-biphenyl]-2-yl-κC[tris(1,1-dimethylethyl)phosphine]palladium is a Buchwald third-generation palladacycle precatalyst featuring a tri-tert-butylphosphine ligand and a 2'-amino-1,1'-biphenyl-2-yl palladacycle core with an ethanesulfonate 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 tri-tert-butylphosphine 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
Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC](ethanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]-; TTBP Palladacycle Gen. 3; TTBP Pd G3; (t-Bu)3P Pd G3; Ethanesulfonato(tri-tert-butylphosphane)(2'-amino-1,1'-biphenyl-2-yl)palladium(II); Methanesulfonato(tri-t-butylphosphane)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
IUPAC Name
tritert-butylphosphane;ethanesulfonic acid;palladium;2-phenylaniline
SMILES
O=S(=O)([O-][Pd+2]1([C-]=2C=CC=CC2C=3C=CC=CC3[NH2]1)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)CC
InChI
InChI=1S/C12H10N.C12H27P.C2H6O3S.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-10(2,3)13(11(4,5)6)12(7,8)9;1-2-6(3,4)5;/h1-6,8-9H,13H2;1-9H3;2H2,1H3,(H,3,4,5);/q-1;;;+2/p-1
InChI Key
NCFFZRXUEHHPNK-UHFFFAOYSA-M
Purity
≥95%
Appearance
White to off-white powder
Storage
Store at 2-8 °C, under inert atmosphere
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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