1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
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Grundinformationen
- CAS
112741-50-1- Standard-SMILES
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1- InChIKey
MRUKRSQUUNYOFK-MOPGFXCFSA-N- Summenformel
- C21H23NO4
- Durchschnittliche Molmasse
- 353,4 g/mol
- Monoisotopische Masse
- 353,16270822
Namen und Bezeichner
- Bevorzugter Name
- 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
- IUPAC
- tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
- Englischer Name
- tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
- Summenformel
- C21H23NO4
- Molmasse
- 353.41
Namen und Synonyme
RefChem:4100001,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1(2S,3R)-Tert-butyl 6-oxo-2,3-diphenylmorpholine-4-carboxylatetert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylatetert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate(2S,3R)-N-BOC-6-OXO-2,3-DIPHENYLMORPHOLINEMFCD00074953(2S,3R)-(+)-N-tert-Butoxycarbonyl-6-oxo-2,3-diphenylmorpholineN-Boc-(2S,3R)-(+)-6-Oxo-2,3-diphenyl-4-morpholinecarboxylate173397-90-5SCHEMBL894292
Weitere Namen anzeigen
(2S,3R)-tert-Butyl 6-oxo-2,3- diphenylmorpholine-4-carboxylate(2S,3R)-tert-Butyl(5R,6S)-N-Boc-5,6-diphenyl-2-morpholinone6-oxo-2,3-diphenylMorpholine-4-carboxylate(2S,3R)-(+)-N-Boc-6-oxo-2,3-diphenylMorpholinetert-butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morph(5S,6R)-(+)-4-Boc-5,6-diphenyl-2-Morpholinone, 99%(2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 501
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 °C · 206 °C (dec.)(lit.)
- Siedepunkt
- 509.6 · 509.6±50.0 °C(Predicted)
- Dichte
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 Cl2 · soluble in THF, CH2Cl2
- Aggregatzustand
- solid
- pka
- -3.28 · -3.28±0.60(Predicted)
- InChI
- InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
- InChIKey
- MRUKRSQUUNYOFK-MOPGFXCFSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC(=O)O[C@@H](C2=CC=CC=C2)[C@H]1C1=CC=CC=C1
- CAS Datenbank
- 112741 · 112741-50-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(2S,3R)-(+)-N-Boc-6-oxo-2,3-diphenylmorpholine (Williams chiral auxiliary) can be used as a reactant: In the asymmetric synthesis of cylindrospermopsin and related alkaloids via an intramolecular 1,3-dipolar cycloaddition reaction.To synthesize boc-3-(1-methylcyclopropyl)-D-alanine, which is used as an intermediate to prepare 4-fluoroproline-based analogs as potent tripeptide thrombin inhibitors. In the total synthesis of potent hepatotoxic alkaloid 7-epicylindrospermopsin by intramolecular 1,3-dipolar cycloaddition and nitroaldol reaction.To prepare differentially functionalized diaminoglutamic acids via radical reaction of selenide with methyl 2-acetamidoacrylate.
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上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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