HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
RARECHEM AK PT B064 · Boc-D-b-HoPhe(4-Br)-OH · BOC-D-Β-HOPHE(4-BR)-OH · Boc-D-β-HomoPhe(4-Br)-OH · Boc-D-beta-HPhe(4-Br)-OH · BOC-D-BETA-HOPHE(4-BR)-OH · BOC-D-PHE(4-BR)-(C*CH2)OH · Boc-(R)-beta-4-Bromophenylalanine
![Molekülstruktur von (3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid](/img/chemical/7009737.png)
Identifikatoren & physikalische Daten
| CAS No. | 331763-75-8 |
|---|---|
| Summenformel | C15H20BrNO4 |
| Durchschnittliche Molmasse | 358,23 g/mol |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Br)cc1 |
| InChIKey | GYXZKHKUVVKDHI-GFCCVEGCSA-N |
| PubChem CID | 7009737 |
| EC No. | 800-811-7 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 359 |
| Schmelzpunkt | 144-146℃ |
| Siedepunkt | 491.9±40.0 °C(Predicted) |
| Dichte | 1.370 |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | 4.40±0.10(Predicted) |
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 2 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%) |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
(R)-3-(Boc-amino)-4-(4-bromophenyl)butyric acid is used as pharmaceutical intermediate.