tBuBrettPhos Pd G3

ALDRICH/745979 - 96%

Synonym: tert-BuBrettPhos-Pd-G3; [(2-Di-tert-butylphosphino-3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate

CAS Number: 1536473-72-9
Empirical Formula (Hill Notation): C₄₄H₆₂NO₅PPdS
Molecular Weight: 854.43
MDL Number: MFCD25976528
Linear Formula: C₄₄H₆₂NO₅PPdS
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-745979-100MG	100 mg	$84.10 1/EA	Add To Favorites
45-745979-500MG	500 mg	$253.00 1/EA	Add To Favorites
45-745979-1G	1 g	$352.00 1/EA	Add To Favorites
45-745979-2G	2 g	$687.00 1/EA	Add To Favorites
45-745979-5G	5 g	$1220.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	96%
feature	generation 3
form	solid
functional group	phosphine
InChI	1S/C31H49O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1
InChI key	GAQPAUHHECNHNS-UHFFFAOYSA-M
mp	119-131 °C
Quality Level	100
reaction suitability	core: palladium
	reaction type: Buchwald-Hartwig Cross Coupling Reaction
	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 reaction type: Cross Couplings
SMILES string	COC1=CC=C(C(P(C(C)(C)C)C(C)(C)C)=C1C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)OC.NC3=C(C=CC=C3)C4=C(C=CC=C4)[Pd]OS(C)(=O)=O

Application:	tBuBrettPhos Pd G3 has been used as a precatalyst for the N-arylation of amino acid esters with aryl triflates under mild reaction conditions and minimal racemization of the amino acid ester. It may also be used to catalyze the conversion of aryl halides to phenols in the presence of benzaldoxime as a hydroxide surrogate. For small scale and high throughput uses, product is also available as ChemBeads (928313 )
General description:	tBuBrettPhos Pd G3 is a third generation (G3) Buchwald precatalyst that can be used in cross-coupling reactions for the formation of C-C, C–N, C–O, C–F, C–CF3, and C–S bonds. It is air-, moisture-, and thermally-stable and is highly soluble in a wide range of common organic solvents. Some of its unique features include lower catalyst loadings, shorter reaction time, efficient formation of the active catalytic species and accurate control of ligand: palladium ratio.
Packaging:	1, 2, 5 g in glass bottle
Packaging:	100, 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

Purity	96%
mp	119-131 °C
UNSPSC	12161600

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