2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
Grundinformationen
- CAS
24601-74-9- Standard-SMILES
CC(C)[C@@H]1NC(=O)OC1=O- InChIKey
XNCNNYXFGGTEMT-BYPYZUCNSA-N- Summenformel
- C6H9NO3
- Durchschnittliche Molmasse
- 143,14 g/mol
- Monoisotopische Masse
- 143,05824315
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
- IUPAC
- (4S)-4-propan-2-yl-1,3-oxazolidine-2,5-dione
- Englischer Name
- (S)-4-Isopropyloxazolidine-2,5-dione
- Summenformel
- C6H9NO3
- Molmasse
- 143.14
Namen und Synonyme
2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-RefChem:445043607-408-324601-74-9L-Valine N-CarboxyanhydrideMFCD03411320(4S)-4-propan-2-yl-1,3-oxazolidine-2,5-dioneDTXSID00432488(4S)-4-(Propan-2-yl)-1,3-oxazolidine-2,5-dione(4S)-4-Isopropyloxazolidine-2,5-dioneAKOS016843858(S)-4-Isopropyl-oxazolidine-2,5-dione
Weitere Namen anzeigen
L-Val-NCAH-Val-NCAPramoxine Impurity 8Valine N-CarboxyanhydrideL-Valine-N-carboxyanhydrideN-Carboxy-L-valine AnhydrideL-4-Isopropyl-2,5-oxazolidinedione(S)-4-Isopropyloxazolidine-2,5-dione
CS-16607CS-0101223N-Carboxy-L-valine Anhydride; Valine N-Carboxyanhydride;DL-valine NCAAMY22687Val-NCAN-carboxy-DL-valine anhydride2,5-Oxazolidinedione, 4-(1-methylethyl)-, (S)-
Datenbank-Bezeichner
- CAS
24601-74-9- PubChem CID
- 9898854
- DTXSID
DTXSID00432488- EC Number
- 607-408-3
- Nikkaji
- J761.091B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 55,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · 70-71°C
- Dichte
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Dichloromethane, Methanol
- Aggregatzustand
- Solid
- pka
- 9.26 · 9.26±0.40(Predicted)
- Farbe
- Pale Beige
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 13-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27393
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- safety_code
- 22-24/25
Chemie und Industrie
Anwendungen
VerwendenL-Valine N-Carboxyanhydride (cas# 24601-74-9) is a compound useful in organic synthesis.
Darstellung
synthetischeTo a stirred suspension of l-valine (46.8 g, 0.4 mol) in dry THF (400 mL) was slowly added a solution of phosgene (0.8 mol)in toluene (stock solution ca. 5 m). In the closed vessel (Author’s remark: It is better to use a reflux condenser cooled to at least -15 ℃ or a dry-ice reflux condenser under ambient pressure), the mixture was stirred at 45 ℃ for 7 h in order to obtain a clear solution. The solvent was then evaporated in vacuo at room temperature. The residue was redissolved in dry THF and this solution was concentrated to dryness. The crystalline residue was dried over CaCl2 in vacuo; yield 57.0 g (quantitative).
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