Xyl-p-phos, (R)-

HCID 11182279

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Grundinformationen

CAS: 442905-33-1
Standard-SMILES: COc1cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc(OC)nc2OC)c(OC)n1
InChIKey: JRTHAKOHBMETRC-UHFFFAOYSA-N
Summenformel: C46H50N2O4P2
Durchschnittliche Molmasse: 756,8 g/mol

Überblick

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Namen und Bezeichner

Bevorzugter Name: Xyl-p-phos, (R)-
IUPAC: [3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxy-3-pyridinyl]-2,6-dimethoxy-4-pyridinyl]-bis(3,5-dimethylphenyl)phosphane
Englischer Name: (R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(di(3,5-xylyl)phosphino)-3,3'-bipyridine
Summenformel: C46H50N2O4P2
Molmasse: 756.85

Namen und Synonyme

442905-33-1443347-10-2Xyl-p-phos, (R)-(R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine(R)-Xylyl-P-Phos(S)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine(S)-Xylyl-P-PhosXyl-p-phos, (S)-(R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(di(3,5-xylyl)phosphino)-3,3'-bipyridine(R)-Xyl-p-phos [MI](S)-Xyl-p-phos [MI]MFCD04974235

Weitere Namen anzeigen

(R)-Xyl-P-PhosCTH-(S)-XYLYL-P-PHOSCTH-(R)-XYLYL-P-PHOSmin.cth-(r)-xylyl-p-phos(R)-(+)-2,2',6,6'-TETRAMETHOXY-4,4'-BIS&(R)-(+)-2,2'',6,6''-Tetramethoxy-4,4''-bis(di(3,5-xylyl)phosphi(S)-(-)-2,2',6,6'-TETRAMETHOXY-4,4'-BIS(DI(3,5-XYLYL)PHOSPHINO)-3,3'-BIPYRIDINE

1A4EO1493YP-PHOS Ligands, (R)-xyl-p-phos-P-PHOS Ligands, (S)-xyl-p-phos-SCHEMBL166831N2PCW560634,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridineAKOS027320472[3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridin-4-yl]-bis(3,5-dimethylphenyl)phosphane

Datenbank-Bezeichner

CAS: 442905-33-1、443347-10-2
PubChem CID: 11182279
UNII: 1A4EO1493Y、N2PCW56063
EC Number: 636-950-3
Nikkaji: J1.681.155F、J2.231.389D、J2.899.961E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 10,9
Polarare Oberfläche (TPSA): 62,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 11
Schwere Atome: 54
Formalladung: 0
Komplexität: 972

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-194°C
Siedepunkt: 791.1 · 791.1±60.0 °C(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Powder
pka: -1.76 · -1.76±0.38(Predicted)
Farbe: white to pale yellow
Wasserlöslichkeit: Sparingly soluble in water.
InChIKey: JRTHAKOHBMETRC-UHFFFAOYSA-N
SMILES: COc1cc(P(c2cc(C)cc(C)c2)c3cc(C)cc(C)c3)c(c(OC)n1)-c4c(OC)nc(OC)cc4P(c5cc(C)cc(C)c5)c6cc(C)cc(C)c6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(di(3,5-xylyl)phosphino)-3,3'-bipyridine is used in asymmetric hydrogenation.It acts as a ligand used in the asymmetic hydrogenation of β-keto esters, 2-arylacrylates, aryl ketones , and other substrates. Other applications include it is used widely as a Catalyst, when combined with Rh, Ru and Ir precursor.