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tBuXPhos-Pd-G3

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tBuXPhos-Pd-G3 Basic information

Product Name:
tBuXPhos-Pd-G3
Synonyms:
  • [2'-(Amino)[1,1'-biphenyl]-2-yl][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato)palladium
  • [(2-Di-tert-butylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate
  • Methanesulfonato(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-aMino-1,1'-biphenyl-2-yl)palladiuM(II), Min. 98% [t-BuXPhos Palladacycle]
  • tBuXPhos Pd G3
  • Methanesulfonato(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)
  • tBuXPhos Pd G3 97%
  • METHANESULFONATO(2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)(2'-AMINO-1,1'-BIPHENYL-2-YL)PALLADIUM(II),MIN.98%[T-BUXPHOSPALLADACYCLEGEN.3]
  • Palladium, [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato-κO)-
CAS:
1447963-75-8
MF:
C42H58NO3PPdS
MW:
794.38
Product Categories:
  • Buchwald Ligands&Precatalysts
  • Buchwald Precatalysts Series
  • Pd
Mol File:
1447963-75-8.mol
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tBuXPhos-Pd-G3 Chemical Properties

Melting point:
130-140°C
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
form 
Powder
color 
yellow
InChI
InChI=1S/C29H45P.C12H9N.CH4O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-21H,1-12H3;1-6,8-9,13H;1H3,(H,2,3,4);/q;-2;;+2
InChIKey
KKVLHKIBKWORMK-UHFFFAOYSA-N
SMILES
P(C1C=CC=CC=1C1C(=CC(C(C)C)=CC=1C(C)C)C(C)C)([Pd+2]1(NC2=CC=CC=C2C2=CC=CC=[C-]12)[O-]S(=O)(=O)C)(C(C)(C)C)C(C)(C)C
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Safety Information

WGK Germany 
3
HS Code 
2843909000
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tBuXPhos-Pd-G3 Usage And Synthesis

Physical properties

tBuXPhos-Pd-G3 is in the form of a dark grey crystalline powder.

Uses

tBuXPhos Pd G3 may be used to synthesize 4-cyano-7-azaindole from 4-chloro-7-azaindole by cyanation reaction. It may also be used for the α-arylation reaction of acetate esters at room temperature.

Reactions

Mild palladium-catalyzed cyanation of (hetero)aryl halides and triflates in aqueous media.

General Description

tBuXPhos Pd G3 is a third generation (G3) Buchwald precatalyst. It is air, moisture and thermally-stable and is highly soluble in a wide range of common organic solvents. It has long life in solutions. tBuXPhos Pd G3 is an excellent reagent for Buchwald-Hartwig cross-coupling reaction. 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.

storage

tBuXPhos Pd G3 should be stored in an airtight, dry and low temperature.

tBuXPhos-Pd-G3Supplier

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