tBuXPhos-Pd-G3

Synonym(s):[(2-Di-tert-butylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate;tBuXPhos-Pd-G3

CAS NO.：1447963-75-8
Empirical Formula: C42H58NO3PPdS
Molecular Weight: 794.38
MDL number: MFCD22666411
Update Date: 2024-03-18 16:05:02

What is tBuXPhos-Pd-G3?

Physical properties

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

The Uses of tBuXPhos-Pd-G3

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.

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.

Properties of tBuXPhos-Pd-G3

Melting point:	130-140°C
storage temp.	under inert gas (nitrogen or Argon) at 2–8 °C
form	Powder
color	yellow

Safety information for tBuXPhos-Pd-G3

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for tBuXPhos-Pd-G3

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