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900455

N-XantPhos Pd G4

powder or crystals

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About This Item

Empirical Formula (Hill Notation):
C50H42N2O4P2PdS
CAS Number:
1878105-23-7
Molecular Weight:
935.31
MDL number:
MFCD30718059
UNSPSC Code:
12161600
NACRES:
NA.22
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Product Name

N-XantPhos Pd G4,

Quality Segment

100

product line

Buchwald precatalyst Generation 4

form

powder or crystals

feature

generation 4

reaction suitability

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

functional group

phosphine

SMILES string

[Pd+]c8c(cccc8)c9c(cccc9)NC.P(c7ccccc7)(c6ccccc6)c1c2c(ccc1)Nc3c(c(ccc3)P(c5ccccc5)c4ccccc4)O2.[S](=O)(=O)([O-])C

InChI

1S/C36H27NOP2.C13H12N.CH4O3S.Pd/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h1-26,37H;2-7,9-10,14H,1H3;1H3,(H,2,3,4);

InChI key

XLDCAOXDZXRMKY-UHFFFAOYSA-M

Application

N-XantPhos Pd G4 is a fourth generation (G4) Buchwald precatalyst that is similar to the third generation (G3) precatalysts except that the amino group on the biphenyl backbone is methylated. This modification helps to prevent the limitations found when using the third generation precatalysts. It is air, moisture, and thermally-stable and shows good solubility in common organic solvents.

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

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