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Merck
CN

675938

Me4tButylXphos

96%, solid

Synonym(s):

2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2′,4′,6′-triisopropyl-1,1′-biphenyl, Tetramethyl di-tBuXPhos, Tetramethyl tBuXPhos

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About This Item

Empirical Formula (Hill Notation):
C33H53P
CAS Number:
857356-94-6
Molecular Weight:
480.75
UNSPSC Code:
12352002
PubChem Substance ID:
24885309
NACRES:
NA.22
MDL number:
MFCD09038436

Key Documents

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Product Name

Me4tButylXphos, 96%

SMILES string

CC1=C(C)C(C)=C(C)C(C(C(C(C)C)=CC(C(C)C)=C2)=C2C(C)C)=C1P(C(C)(C)C)C(C)(C)C

InChI

1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3

InChI key

RCRYEYMHBHPZQD-UHFFFAOYSA-N

assay

96%

form

solid

reaction suitability

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

mp

168-172 °C

functional group

phosphine

Quality Level

100

Related Categories

Application

Learn more about Buchwald Phosphine Ligands

Legal Information

Usage subject to US Patents 6307087 and 6395916.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV9278
MKCS3056
MKCP5300
MKCP5194
MKCM0859

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Huy Tran et al.
Angewandte Chemie (International ed. in English), 61(1), e202110575-e202110575 (2021-10-30)
A one-pot cascade sequence to generate synthetically challenging polycyclic scaffolds is reported utilizing a novel Lewis acid gold catalyst for the key cyclization step, enabling the divergent synthesis of both 6,6,5-tricyclic and 6,6,6,5-tetracyclic cores through both ligand and reaction condition
N Ian Rinehart et al.
Science (New York, N.Y.), 381(6661), 965-972 (2023-08-31)
Machine-learning methods have great potential to accelerate the identification of reaction conditions for chemical transformations. A tool that gives substrate-adaptive conditions for palladium (Pd)-catalyzed carbon-nitrogen (C-N) couplings is presented. The design and construction of this tool required the generation of
Takashi Ikawa et al.
Journal of the American Chemical Society, 129(43), 13001-13007 (2007-10-09)
We present results on the amidation of aryl halides and sulfonates utilizing a monodentate biaryl phosphine-Pd catalyst. Our results are in accord with a previous report that suggests that the formation of kappa(2)-amidate complexes is deleterious to the effectiveness of
Kevin W Anderson et al.
Journal of the American Chemical Society, 128(33), 10694-10695 (2006-08-17)
The direct and selective synthesis of phenols from aryl/heteroaryl halides and KOH has been achieved through the use of highly active monophosphine-based catalysts derived from Pd(2)dba(3) and ligands L1 or L2 and the biphasic solvent system 1,4-dioxane/H(2)O. We have also
David S Surry et al.
Angewandte Chemie (International ed. in English), 47(34), 6338-6361 (2008-07-30)
Palladium-catalyzed amination reactions of aryl halides have undergone rapid development in the last 12 years, largely driven by the implementation of new classes of ligands. Biaryl phosphanes have proven to provide especially active catalysts in this context. This Review discusses
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