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730998

tBuBrettPhos

Name: tBuBrettPhos
Brand: ALDRICH

97%, solid

Synonym(s):

t-Bu Brett Phos, t-BuBrett-Phos, tertButylBrettPhos, 2-(Di-tert-butylphosphino)-2′,4′,6′- triisopropyl-3,6-dimethoxy-1,1′-biphenyl, t-BuBrett Phos, t-BuBrettPhos, [3,6-Dimethoxy-2′,4′,6′-tris(1-methylethyl) [1,1′-biphenyl]-2-yl]bis(1,1-dimethylethyl)phosphine, tert-ButylBrettPhos

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About This Item

Empirical Formula (Hill Notation):

C₃₁H₄₉O₂P

CAS Number:

1160861-53-9

Molecular Weight:

484.69

UNSPSC Code:

12352112

PubChem Substance ID:

329764610

NACRES:

NA.22

MDL number:

MFCD13181930

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Properties

Product Name

tBuBrettPhos, 97%

Quality Level

300

product line

Buchwald Ligand

assay

97%

form

solid

reaction suitability

reaction type: Cross Couplings, reagent type: ligand
reaction type: Arylations, reagent type: ligand
reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: ligand
reaction type: C-X Bond Formation, reagent type: ligand
reaction type: Fluorinations

mp

166-170 °C

functional group

phosphine

SMILES string

COc1ccc(OC)c(c1P(C(C)(C)C)C(C)(C)C)-c2c(cc(cc2C(C)C)C(C)C)C(C)C

InChI

1S/C31H49O2P/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/h15-21H,1-14H3

InChI key

REWLCYPYZCHYSS-UHFFFAOYSA-N

Description

General description

tBuBrettPhos is a dialkylbiaryl phosphine ligand developed by the Buchwald group. It promotes cross-coupling reactions more efficiently and exhibits improved reactivity compared to other catalytic systems.

tBuBrettPhos is a phosphine ligand widely used in palladium-catalyzed cross-coupling reactions.

Application

Common applications

Buchwald-Hartwig amination and C-O coupling
Suzuki, Negishi, Stille, Hiyama, Sonogashira cross-couplings
α-Arylation reaction

New Applications:

Conversion of aryl and vinyl triflates to bromides and chlorides
Conversion of aryl triflates to aryl fluorides
O-Arylation of ethyl acetohydroximate
Conversion of aryl chlorides and sulfonates to nitroaromatics

Buchwald Phosphine Ligands for chemical Synthesis

Features and Benefits

White crystalline solid
Air- and moisture-stable
Thermally stable
Highly efficient
Wide functional group tolerance
Excellent selectivity and conversion

Legal Information

Usage subject to US Patent 7,858,784

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Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Global Trade Item Number

SKU	GTIN
730998-500MG	04061833240113
730998-50G	04061833411773
730998-100MG	04061833240106
730998-1G	04061826653302
730998-5G	04061832865447