(2'-Amino-2-biphenylyl)palladium(1+) methanesulfonate-bis(2-methyl-2-propanyl)(2',4',6'-triisopropyl-2-biphenylyl)phosphine (1:1:1)

tBuXPhos Pd G3 · ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane · 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% · [(2-Di-tert-butylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate · tBuXPhos Pd G3 ChemBeads · tBuXPhos Palladacycle Gen.3 · tBuXPhos Pd G3 tBuXPhos Pd G3

https://huagongshe.com/de/chemical/90645613

Molekülstruktur von (2'-Amino-2-biphenylyl)palladium(1+) methanesulfonate-bis(2-methyl-2-propanyl)(2',4',6'-triisopropyl-2-biphenylyl)phosphine (1:1:1)

Identifikatoren & physikalische Daten

CAS No.	1447963-75-8
Summenformel	C42H59NO3PPdS-
Durchschnittliche Molmasse	795,4 g/mol
SMILES	CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.CS(=O)(=O)O.Nc1ccccc1-c1[c-]cccc1.[Pd]
InChIKey	KKVLHKIBKWORMK-UHFFFAOYSA-N
PubChem CID	90645613
EC No.	811-771-5

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	88,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	8
Schwere Atome	49
Formalladung	-1
Komplexität	934
Schmelzpunkt	130-140°C
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	Powder
Farbe	yellow
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

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (40%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2843909000
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

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.