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tert-Butylsuccinimidocarbonat
tert-Butyl (2,5-dioxopyrrolidin-1-yl) carbonate · BOC-OSU · BOC-ONSU · BOC-OSU PURUM · Boc-OSu >=98.0% (CHN) · LABOTEST-BB LT00645757 · T-BUTYL N-SUCCINIMIDO CARBONATE · tert-butyl succinimido carbonate
Identifikatoren & physikalische Daten
| CAS No. | 13139-12-3 |
|---|---|
| Summenformel | C9H13NO5 |
| Durchschnittliche Molmasse | 215,2 g/mol |
| Monoisotopische Masse | 215,07937252 g/mol |
| SMILES | CC(C)(C)OC(=O)ON1C(=O)CCC1=O |
| InChIKey | VTGFSVGZCYYHLO-UHFFFAOYSA-N |
| PubChem CID | 83168 |
| ChEMBL | CHEMBL4959537 |
| EC No. | 236-071-1 |
| DTXSID | DTXSID4065361 |
| Lokaler Name | tert-Butylsuccinimidocarbonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 288 |
| Schmelzpunkt | ~95 °C (dec.) |
| Siedepunkt | 272.8±23.0 °C(Predicted) |
| Dichte | 1.26±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | sol ether, ethyl acetate, acetoneinsol water, petroleum ether. |
| Aggregatzustand | Powder |
| Farbe | White |
| BRN | 1536756 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3 |
| InChIKey | VTGFSVGZCYYHLO-UHFFFAOYSA-N |
| SMILES | C(ON1C(=O)CCC1=O)(=O)OC(C)(C)C |
| CAS Datenbank | 13139-12-3 |
| EPA chemische Informationen | 2,5-Pyrrolidinedione, 1-[[(1,1-dimethylethoxy)carbonyl]oxy]- (13139-12-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Sens. 1 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29280000 |
| R-Sätze (R) | 22-43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-60-37-24 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralSkin Sens. 1 |
Anwendungen & Verwendung
Beschreibung
Boc-OSu is a reagent in peptide synthesis that protects amino acid amine groups as a selective protecting group. It forms a stable carbamate with the amine in the presence of a base, preventing unwanted reactions. This selective protection and deprotection process is key to the stepwise synthesis of peptides.