(R)-4-Benzyl-2-oxazolidinone
Grundinformationen
- CAS
102029-44-7- Standard-SMILES
O=C1N[C@H](Cc2ccccc2)CO1- InChIKey
OJOFMLDBXPDXLQ-SECBINFHSA-N- Summenformel
- C10H11NO2
- Durchschnittliche Molmasse
- 177,2 g/mol
- Monoisotopische Masse
- 177,07897859
Überblick
See also: (S)-4-Benzyl-2-oxazolidinone (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- (R)-4-Benzyl-2-oxazolidinone
- IUPAC
- (4R)-4-benzyl-1,3-oxazolidin-2-one
- Englischer Name
- (R)-4-Benzyl-2-oxazolidinone
- Summenformel
- C10H11NO2
- Molmasse
- 177.2
Namen und Synonyme
(R)-4-Benzyl-2-oxazolidinone(R)-(+)-4-Benzyl-2-oxazolidinone2-Oxazolidinone, 4-(phenylmethyl)-, (4R)-DTXSID60370594RefChem:407325DTXCID20321628102029-44-7(r)-4-benzyloxazolidin-2-one(4R)-4-benzyl-1,3-oxazolidin-2-oneMFCD00010846(+)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-1,3-oxazolidin-2-one
Weitere Namen anzeigen
(R)-4-(PHENYLMETHYL)-2-OXAZOLIDINONER-BOZRBOX(4R)-4-BENZYLOXAZOLIDIN-2-ONE4-benzyl-2-0xazolidinone(4R)-Phenylmethyl-2-oxazolidinoneMLS00TB-2044
(r)-(-)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-2-oxazolidinone4-Benzyl-1,3-oxazolidin-2-one #(R)-4-benzyl-oxazolidin-2-oneNetarsudil Impurity 7r-4-benzyl-2-oxazolidinoneMLS0012428024(R)-benzyl-2-oxazolidinone
Datenbank-Bezeichner
- CAS
102029-44-7- PubChem CID
- 2734969
- DTXSID
DTXSID60370594- ChEMBL
CHEMBL1366601- UNII
- CVS8468YG3
- EC Number
- 600-264-2
- Nikkaji
- J462.969H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 187
Physikochemische Eigenschaften
- Schmelzpunkt
- 88 · 88-90 °C
- Siedepunkt
- 309.12 °C · 309.12°C (rough estimate)
- Dichte
- 1.1607 · 1.1607 (rough estimate)
- Brechungsindex
- 14.5 ° · 14.5 ° (C=5, MeOH)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly)
- pka
- 12.78 · 12.78±0.40(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to almost white
- Wasserlöslichkeit
- Insoluble in water. Soluble in Chloroform.
- BRN
- 4782551 · 4782551
- InChI
- 1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
- InChIKey
- OJOFMLDBXPDXLQ-SECBINFHSA-N
- SMILES
- O=C1N[C@@H](CO1)Cc2ccccc2
- CAS Datenbank
- 102029 · 102029-44-7(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 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information(R)-(+)-4-Benzyl-2-oxazolidinone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung(R)-4-Benzyl-2-oxazolidinone is a derivative of oxazolidinone. It can be used in the preparation of enantiopure carbocyclic nucleosides, which act as a HIV protease inhibitor. It can also be used as a chiral auxiliary in the enantioselective synthesis of (2R, 2′S)-erythro-methylphenidate, beta-lactams and alpha-amino acids. Its end product includes asymmetric single isomeric drugs such as antitumor, anesthetic and entipasmodic products.
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