HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzyloxycarbonyl-L-3-phenylalanin
Z-PHE-OH · z-phe · Cbz-Phe · CBZ-PHE-OH · Z-L-PHE-OH · CBZ-L-PHE · CBZ-L-Phe-OH · N-CARBOBENZOXY-L-PHENYLALANINE
Identifikatoren & physikalische Daten
| CAS No. | 1161-13-3 |
|---|---|
| Summenformel | C17H17NO4 |
| Durchschnittliche Molmasse | 299,32 g/mol |
| Monoisotopische Masse | 299,11575802 g/mol |
| SMILES | O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 |
| InChIKey | RRONHWAVOYADJL-HNNXBMFYSA-N |
| PubChem CID | 70878 |
| ChEMBL | CHEMBL66143 |
| EC No. | 214-599-3 |
| DTXSID | DTXSID30151276 |
| Lokaler Name | N-Benzyloxycarbonyl-L-3-phenylalanin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 360 |
| Schmelzpunkt | 85-87 °C(lit.) |
| Siedepunkt | 440.65°C (rough estimate) |
| Dichte | 1.1441 (rough estimate) |
| Brechungsindex | 5.3 ° (C=4, AcOH) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMF (Sparingly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 3.86±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| BRN | 2222826 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1 |
| InChIKey | RRONHWAVOYADJL-HNNXBMFYSA-N |
| SMILES | OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 |
| CAS Datenbank | 1161-13-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.DangerH315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| RTECS-Nr. | AY4343000 |
| R-Sätze (R) | 62-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Cbz-L-Phenylalanine is used in the synthesis of neurokinin antagonists. Furthermore it is used in the preparation of Co(II), Zn(II), and Cd(II) complexes with N-benzyloxycarbonyl-S-phen ylalanine that displays antimicrobial activity against common strains of bacteria.