HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
(2S)-(+)-N-Methyl-α · (S)-A,A-DIPHENYLMETHYLPROLINOL · (s)-α,α-Diphenylmethylprolinol · 1,1-Diphenyl-N-methyl-L-prolinol · α,α-diphenyl-n-methyl-l-prolinol · à,à-diphenyl-n-methyl-l-prolinol · a,a-Diphenyl-N-methyl-L-prolinol · (S)-N-Methyl-alpha,alpha-diphenyl
![Molekülstruktur von (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine](/img/chemical/853009.png)
Identifikatoren & physikalische Daten
| CAS No. | 110529-22-1 |
|---|---|
| Summenformel | C18H21NO |
| Durchschnittliche Molmasse | 267,4 g/mol |
| SMILES | CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 |
| InChIKey | XIJAGFLYYNXCAB-KRWDZBQOSA-N |
| PubChem CID | 853009 |
| EC No. | 634-571-8 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 287 |
| Schmelzpunkt | 66-72 °C |
| Siedepunkt | 406.8±25.0 °C(Predicted) |
| Dichte | 1.116±0.06 g/cm3(Predicted) |
| Brechungsindex | 55 ° (C=1, CHCl3) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | sol hexane, benzene, toluene, Et2O, cyclohexane, dichloromethane |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 13.15±0.29(Predicted) |
| Farbe | white to pale-yellow |
| BRN | 4749387 |
| InChI | 1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1 |
| InChIKey | XIJAGFLYYNXCAB-KRWDZBQOSA-N |
| SMILES | CN1CCC[C@H]1C(O)(c2ccccc2)c3ccccc3 |
| CAS Datenbank | 110529-22-1(CAS DataBase Reference) |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine is used for chiral ligand for the enantioselective addition of dialkylzincs, alkynylzinc, and cyanomethylzinc bromide to aldehydes; chiral ligand for the enantioselective Reformatsky reaction; chiral ligand for the enantioselective Diels-Alder reaction; chiral auxiliary for asymmetric polymerization.