185175

1-Benzyl-3-pyrrolidinon

98%

• Empirische Formel (Hill-System): C₁₁H₁₃NO
• CAS-Nummer: 775-16-6
• Molekulargewicht: 175.23
• Beilstein: 1526217
• EG-Nummer: 212-274-0
• MDL-Nummer: MFCD00005342
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24850673
• NACRES: NA.22

Eigenschaften

• Assay: 98%
• Brechungsindex: n20/D 1.539 (lit.)
• bp: 77 °C/0.01 mmHg (lit.)
• Dichte: 1.091 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: ketone; phenyl
• Lagertemp.: 2-8°C
• SMILES String: O=C1CCN(C1)Cc2ccccc2
• InChI: 1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
• InChIKey: DHGMDHQNUNRMIN-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

The equilibrium constant for the ketoreductase-catalyzed reduction reaction of 1-benzyl-3-pyrrolidinone has been measured in n-hexane[1]. 1-Benzyl-3-pyrrolidinone on enzymatic asymmetric reduction yields enantiopure 1-benzyl-3-hydroxypyrrolidine, well known intermediate for various drugs[2].

Anwendung

1-Benzyl-3-pyrrolidinone was used as starting reagent in the synthesis of vinyl triflate[3]. It was used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles[4].

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 230.0 °F - closed cup
• Flammpunkt (°C): 110 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type ABEK (EN14387) respirator filter