HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-(-)-N-Boc-prolinol
tert-butyl (S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate · N-BOC-L-PROLINOL · (S)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate · BOC-L-PRO-OL · BOC-L-PROLINOL · BOC-PRO-OL · BOC prolol · Boc-Proninol
Identifikatoren & physikalische Daten
| CAS No. | 69610-40-8 |
|---|---|
| Summenformel | C10H19NO3 |
| Durchschnittliche Molmasse | 201,26 g/mol |
| Monoisotopische Masse | 201,13649347 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1CO |
| InChIKey | BFFLLBPMZCIGRM-QMMMGPOBSA-N |
| PubChem CID | 643448 |
| ChEMBL | CHEMBL4764441 |
| DTXSID | DTXSID80349181 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 210 |
| Schmelzpunkt | 62-64 °C (lit.) |
| Siedepunkt | 150 °C / 4mmHg |
| Dichte | 1.0948 (rough estimate) |
| Brechungsindex | -55 ° (C=5, MeOH) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly), Water (Slightly)insoluble |
| pKa (Säurekonstante) | 14.77±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 3542667 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1 |
| InChIKey | BFFLLBPMZCIGRM-QMMMGPOBSA-N |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1CO |
| CAS Datenbank | 69610-40-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Regulatorische Informationen | (S) - (-) -N-Boc - prolinol: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Building block for novel nicotinic acetylcholine receptor ligands with cognition-enhancing properties. Used in the synthesis of chiral β-amino sulfides and β-amino thiols.