HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Glycine tert-butyl ester
tert-butyl 2-aminoacetate · Gly-OtBu · GLYCINE TERT-BUTYL ESTER · Gly-Otbu-OH · tert-Butyl glycite · Glycine tert-butyl · TERT-BUTYL GLYCINATE · GLYCINE T-BUTYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 6456-74-2 |
|---|---|
| Summenformel | C6H13NO2 |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,09462866 g/mol |
| SMILES | CC(C)(C)OC(=O)CN |
| InChIKey | SJMDMGHPMLKLHQ-UHFFFAOYSA-N |
| PubChem CID | 151417 |
| EC No. | 692-068-9 |
| DTXSID | DTXSID60214823 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| Schmelzpunkt | 148-150 °C (decomp) |
| Siedepunkt | 29-31°C 2mm |
| Dichte | 0,96 g/cm3 |
| Brechungsindex | 1.4240 |
| Flammpunkt | 29-31°C/2mm |
| Lagerbedingungen | Store at +2°C to +8°C. |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 7.36±0.29(Predicted) |
| Farbe | colorless to pale yellow transparent |
| Löslichkeit | Miscible with acetone and methanol. Slightly miscible with ehtanol. Immiscible with water. |
| BRN | 2039000 |
| CAS Datenbank | 6456-74-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Glycine tert-butyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| TSCA-Inventar-Status | No |
| Zollcode | 29224999 |
| R-Sätze (R) | 36/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Glycine tert-butyl ester is used in the preparation of Schiff base by reacting with benzophenone. The resultant Schiff base undergoes asymmetric alkylation with arylmethyl bromides in the presence of O-allyl-N-(9-anthracenylmethyl)cinchonidinium bromide as chiral phase transfer catalyst to give guanidine-containing pentacyclic compound.