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Merck
CN

776106

AdBrettPhos Pd G3

solid

Synonym(s):

Di-Ad-BrettPhos-G3-Palladacycle, [2-(Di-1-adamantylphosphino)-2′,4′,6′-triisopropyl-3,6-dimethoxybiphenyl][2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate

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About This Item

Empirical Formula (Hill Notation):
C56H74NO5PPdS
CAS Number:
Molecular Weight:
1010.65
UNSPSC Code:
12161600
PubChem Substance ID:
NACRES:
NA.22
MDL number:
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Product Name

AdBrettPhos Pd G3,

Quality Level

product line

Buchwald precatalyst Generation 3

form

solid

feature

generation 3

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

mp

251-253 °C

functional group

phosphine

SMILES string

COC1=CC=C(OC)C(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)=C1P([C@]34C[C@H]5C[C@H](C[C@H](C5)C4)C3)[C@@]6(C[C@H](C7)C8)CC7C[C@H]8C6.NC9=CC=CC=C9C%10=CC=CC=C%10[Pd]OS(C)(=O)=O

InChI

1S/C43H61O2P.C12H10N.CH4O3S.Pd/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChI key

OZFYYHNERORONM-UHFFFAOYSA-M

Application

Buchwald 3rd Generation Pd Precatalyst adorned by the bulk di-adamntyl BrettPhos ligand. This complex has been used in the monoarylation of ammonia, displaying apptitude for otherwise difficult 5-member heterocyclic substrates.

Mild and Highly Selective Palladium-Catalyzed Monoarylation of Ammonia Enabled by the Use of Bulky Biarylphosphine Ligands and Palladacycle Precatalysts


Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable



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Articles

G3和G4 Buchwald预催化剂是一类最新的空气、湿度和热稳定型交叉偶联复合物,可用于键形成以实现其多功能性和高反应性。

G3 and G4 Buchwald palladium precatalysts are the newest air, moisture, and thermally stable crossing-coupling complexes used in bond formation for their versatility and high reactivity.

Related Content

Explore reliable, premium grade catalysis materials for your pharma or industrial project. Specialty chemicals and formulations are available in bulk quantities and volumes from a few grams to multi-metric tons with complete documentation to simplify your leap from development to commercialization.

The Buchwald group has developed a series of highly active and versatile palladium precatalysts and biarylphosphine ligands used in cross-coupling reactions for the formation of C-C, C–N, C–O, C–F, C–CF3, and C–S bonds. The ligands are electron-rich, and highly tunable to provide catalyst systems with a diverse scope, high stability and reactivity. Furthermore, the new series of precatalysts are air-, moisture and thermally-stable and display good solubility in common organic solvents. The use of precatalysts ensures the efficient generation of the active catalytic species and allows one to accurately adjust the ligand:palladium ratio. The ligands, precatalysts and methodology developed in the Buchwald group are user friendly and have rendered previously difficult cross couplings reactions, much easier to achieve.





Global Trade Item Number

SKUGTIN
776106-5G04061833332610
776106-100MG04061833231777
776106-2G04061833332603
776106-500MG04061833231784