2-(Di-tert-butylphosphino)biphenyl

HCID 2734215

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Grundinformationen

CAS: 224311-51-7
Standard-SMILES: CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
Summenformel: C20H27P
Durchschnittliche Molmasse: 298,4 g/mol
Monoisotopische Masse: 298,18503749

Namen und Bezeichner

Bevorzugter Name: 2-(Di-tert-butylphosphino)biphenyl
IUPAC: ditert-butyl-(2-phenylphenyl)phosphane
Englischer Name: 2-(Di-tert-butylphosphino)biphenyl
Summenformel: C20H27P
Molmasse: 298.4

Namen und Synonyme

2-(Di-tert-butylphosphino)biphenyl224311-51-7Johnphos phosphine ligand [MI]UNII-5Y743P380Hdi(tert-butyl)(1,1'-biphenyl-2-yl)phosphine5Y743P380H(1,1'-Biphenyl)-2-ylbis(1,1-dimethylethyl)phosphineBuchwald phosphine ligands, johnphos phosphine ligand-Phosphine, (1,1'-biphenyl)-2-ylbis(1,1-dimethylethyl)-DTXSID50370169PHOSPHINE, [1,1'-BIPHENYL]-2-YLBIS(1,1-DIMETHYLETHYL)-RefChem:84656

Weitere Namen anzeigen

JnhnPhos2-(Di-tert-butylphosphino)-1,1'-biphenyl98% JohnPhosJohnPhos 97%2-(Di-t-butyL

JOHNPHOS PHOSPHINE LIGANDDTXCID80321205607-074-9JohnPhosditert-butyl-(2-phenylphenyl)phosphane(2-Biphenyl)di-tert-butylphosphineBIPHENYL-2-YL-DI-TERT-BUTYL-PHOSPHANE2-(DI-T-BUTYLPHOSPHINO)BIPHENYL

Datenbank-Bezeichner

CAS: 224311-51-7
PubChem CID: 2734215
DTXSID: DTXSID50370169
UNII: 5Y743P380H
EC Number: 607-074-9
Nikkaji: J1.124.970A、J3.246.742C、J3.255.696E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 300

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-88 °C (lit.)
Siedepunkt: 405.5 · 405.5±24.0 °C(Predicted)
Dichte: 1 g/cm3 · 1 g/cm3
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly, Heated, Sonicated)
Aggregatzustand: Crystals or Crystalline Powder
Farbe: White
Wasserlöslichkeit: Insoluble
BRN: 8322131 · 8322131
Stabilität: Air Sensitive
InChI: InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1C1=CC=CC=C1)(C(C)(C)C)C(C)(C)C
CAS Datenbank: 224311 · 224311-51-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (10.6%): 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 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (10.6%)

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: No
hs_code: 29029090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: AIR SENSITIVE
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-(Di-tert-butylphosphino)biphenyl (also known as JohnPhos) is a Buchwald ligand that is highly efficient in palladium-catalyzed reactions.