(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
Grundinformationen
- CAS
157904-67-1- Standard-SMILES
CC(C)(C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1)C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1- InChIKey
ZWWGNCSTEMMQOQ-XAZDILKDSA-N- Summenformel
- C33H30N2O2
- Durchschnittliche Molmasse
- 486,6 g/mol
- Monoisotopische Masse
- 486,2307282
Namen und Bezeichner
- Bevorzugter Name
- (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
- IUPAC
- (4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
- Englischer Name
- (4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyl-Oxazole
- Summenformel
- C33H30N2O2
- Molmasse
- 486.6
Namen und Synonyme
157904-67-1(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole](4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)RefChem:209178899-014-5(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazoleMFCD24849939Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl-, (4R,4'R,5S,5'S)-(4R,5S)-2-[2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole(4R,5S)-2-{2-[(4R,5S)-4,5-DIPHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL]PROPAN-2-YL}-4,5-DIPHENYL-4,5-DIHYDRO-1,3-OXAZOLE(4R4'R5S5'S)-22'-(1-Methylethylidene)bis[45-dihydro-45-diphenyloxazole](4R,4'R,5S,5'S)-2,2'-(Propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
Weitere Namen anzeigen
（4R，4'R，5S，5'S）-(4R,4μR,5S,5μS)-2,2μ-(1-Methylethylidene(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene 95%2,2-Bis[2-(4R,5S-diphenyl-1,3-oxazolinyl)]propane, 95%
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 43,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 744
Physikochemische Eigenschaften
- Schmelzpunkt
- 164 · 164-169°C
- Siedepunkt
- 606.7 · 606.7±55.0 °C(Predicted)
- Dichte
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- pka
- 4.33 · 4.33±0.70(Predicted)
- InChIKey
- ZWWGNCSTEMMQOQ-XAZDILKDSA-N
- SMILES
- CC(C1=N[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O1)(C)C4=N[C@H](C5=CC=CC=C5)[C@H](C6=CC=CC=C6)O4
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29349990
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden(4R,4′R,5S,5′S)-2,2′-(1-Methylethylidene) or (4S,5R)-Bis-Phbox) can be used as a ligand:To prepare selective exo-catalysts for enantioselective 1,3-dipolar cycloaddition reactions. In the asymmetric aminooxygenation of alkenes in the presence of tetramethylaminopyridyl radical (TEMPO) as an oxidant and copper(II) triflate as a catalyst.In asymmetric aminofluorination of olefins using an iron catalyst.This chiral Box ligand was most recently shown to mediate an asymmetric aminofluorination of olefins utlizing Xtalfuor-E (719439) and TREAT-HF (344648). The resulting cyclic carbamates can be readily converted into their concomitant beta-fluoro amino acids.
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