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(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
2,2'-METHYLENEBIS[(4S)-4-PHENYL-2-OXAZOLINE] · Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)methane · SF140057 · 2,2'-Methylene bis[(4S)-4-phenyl-2-oxazoline] · (S,S)-2,2'-methyleneBis(4-phenyl-2-oxazoline) · 4(S,S)-2,2'-METHYLENEBIS(4-PHENYL-2-OXAZOLINE) · Bis((4S)-4,5-dihydro-4-phenyloxazol-2-yl)methane · 2,2′-Methylenebis[(4S)-4-phenyl-2-oxazoline]
Identifikatoren & physikalische Daten
| CAS No. | 132098-59-0 |
|---|---|
| Summenformel | C19H18N2O2 |
| Durchschnittliche Molmasse | 306,4 g/mol |
| SMILES | c1ccc([C@H]2COC(CC3=N[C@@H](c4ccccc4)CO3)=N2)cc1 |
| InChIKey | IUFHJPXOLHSJTC-IAGOWNOFSA-N |
| PubChem CID | 736684 |
| EC No. | 624-478-0 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 420 |
| Siedepunkt | 131-134 °C0.01 mm Hg(lit.) |
| Dichte | 1.28 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.587 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | viscous liquid |
| pKa (Säurekonstante) | 4.54±0.70(Predicted) |
| BRN | 4202633 |
| InChI | 1S/C19H18N2O2/c1-3-7-14(8-4-1)16-12-22-18(20-16)11-19-21-17(13-23-19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1 |
| InChIKey | IUFHJPXOLHSJTC-IAGOWNOFSA-N |
| SMILES | C1OC(CC2=N[C@H](CO2)c3ccccc3)=N[C@H]1c4ccccc4 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.